Homec4science
Diffusion lammps f876973bcccb

Merge remote-tracking branch 'upstream/lammps-icms' into…
f876973bcccb
Actions

Authored by Richard Berger <richard.berger@temple.edu> on Jun 8 2016, 20:26.

Description

Merge remote-tracking branch 'upstream/lammps-icms' into improved_python_interface

Details

Committed
Richard Berger <richard.berger@temple.edu>Jun 8 2016, 20:26
Pushed
jungeOct 6 2016, 16:49
Parents
rLAMMPS4ede8dfa621f: Merge remote-tracking branch 'upstream/lammps-icms' into…
rLAMMPSffc7fbcbd456: more dead code and some whitespace cleanup
Branches
Unknown
Tags
Unknown

Event Timeline

Richard Berger <richard.berger@temple.edu> committed rLAMMPSf876973bcccb: Merge remote-tracking branch 'upstream/lammps-icms' into… (authored by Richard Berger <richard.berger@temple.edu>).Jun 8 2016, 20:26

Merged Changes

This commit merges a very large number of changes. Only the first 50 are shown.
CommitAuthorDetailsCommitted
ffc7fbcbd456Axel Kohlmeyer
more dead code and some whitespace cleanup 
Jun 8 2016
01e94eca9085Axel Kohlmeyer
remove dead code 
Jun 8 2016
539e7f2030d9Axel Kohlmeyer
correct fix ehex to be compatible with -DLAMMPS_BIGBIG 
Jun 8 2016
4c611fb1d0cbAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 8 2016
3103b9824784Axel Kohlmeyer
fix a typo and clear up some wording as mentioned in PR #80 
Jun 8 2016
7e57e0d83407Axel Kohlmeyer
update QM/MM coupling interface to the current state of quantum espresso 
Jun 8 2016
6709e70d18c1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15154 f3b2605a-c512-4ea7… 
Jun 7 2016
d84b73a6b036sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15153 f3b2605a-c512-4ea7… 
Jun 7 2016
3497d6382cd2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15151 f3b2605a-c512-4ea7… 
Jun 7 2016
ab7e896a76dbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15150 f3b2605a-c512-4ea7… 
Jun 7 2016
0129ff9696c7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15149 f3b2605a-c512-4ea7… 
Jun 7 2016
b5abf9342bc2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15148 f3b2605a-c512-4ea7… 
Jun 7 2016
0288bdba408dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15147 f3b2605a-c512-4ea7… 
Jun 7 2016
2f225bbc3a6bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15146 f3b2605a-c512-4ea7… 
Jun 7 2016
f3d5260813c9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15145 f3b2605a-c512-4ea7… 
Jun 7 2016
a5fef35ebd99sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15144 f3b2605a-c512-4ea7… 
Jun 7 2016
b107958e8097sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15143 f3b2605a-c512-4ea7… 
Jun 7 2016
7a51ae13118esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15142 f3b2605a-c512-4ea7… 
Jun 7 2016
214e8876c01fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15141 f3b2605a-c512-4ea7… 
Jun 7 2016
8b17319fceb5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15140 f3b2605a-c512-4ea7… 
Jun 7 2016
84514d345b69sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15139 f3b2605a-c512-4ea7… 
Jun 7 2016
c3f0833b48efsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15138 f3b2605a-c512-4ea7… 
Jun 7 2016
8a7fb8e7e03asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15137 f3b2605a-c512-4ea7… 
Jun 7 2016
1afe415c079esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15135 f3b2605a-c512-4ea7… 
Jun 7 2016
c8c29cb08459sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15134 f3b2605a-c512-4ea7… 
Jun 7 2016
27d7c598bf7asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15133 f3b2605a-c512-4ea7… 
Jun 7 2016
9c5655db7c48sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15130 f3b2605a-c512-4ea7… 
Jun 7 2016
d1428accee11sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15129 f3b2605a-c512-4ea7… 
Jun 7 2016
0f5dcedee106sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15128 f3b2605a-c512-4ea7… 
Jun 7 2016
78c0df7de297sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15127 f3b2605a-c512-4ea7… 
Jun 7 2016
22fe6d52902esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15126 f3b2605a-c512-4ea7… 
Jun 7 2016
a8ae4fa419ccsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15125 f3b2605a-c512-4ea7… 
Jun 7 2016
7c55da3879cfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15124 f3b2605a-c512-4ea7… 
Jun 7 2016
63c80930f1cesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15123 f3b2605a-c512-4ea7… 
Jun 7 2016
946de18d47besjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15122 f3b2605a-c512-4ea7… 
Jun 7 2016
59497c1076c7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15121 f3b2605a-c512-4ea7… 
Jun 7 2016
7cb2b01ebd97sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15120 f3b2605a-c512-4ea7… 
Jun 7 2016
9fbe66667723sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15119 f3b2605a-c512-4ea7… 
Jun 7 2016
2927a9aee1f3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15118 f3b2605a-c512-4ea7… 
Jun 7 2016
97ae23af75e5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15117 f3b2605a-c512-4ea7… 
Jun 7 2016
78c5aafccf4fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15116 f3b2605a-c512-4ea7… 
Jun 7 2016
930e2aa033eesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15115 f3b2605a-c512-4ea7… 
Jun 7 2016
6030c2991468Axel Kohlmeyer
Merge branch 'lammps-icms' of https://github.com/mabau/lammps into merge-pull-78 
Jun 7 2016
34bf28cce05cMartin Bauer
Another Python3 compatibility fix 
Jun 7 2016
0da319c57007Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 7 2016
8a90e44c0965Axel Kohlmeyer
fix typo (missing ;). 
Jun 7 2016
c3cc03e12ffcAxel Kohlmeyer
fix issue in balance command where file output has to come over subbox update 
Jun 7 2016
34111922f075sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15113 f3b2605a-c512-4ea7… 
Jun 7 2016
c2cca5dd622fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15112 f3b2605a-c512-4ea7… 
Jun 7 2016
921133d65d0bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15110 f3b2605a-c512-4ea7… 
Jun 7 2016

Changes (891)

Path
M.gitignore
Abench/log.lj.serial-opt
Mdoc/html/Manual.html
Mdoc/html/Section_accelerate.html
Mdoc/html/Section_commands.html
Mdoc/html/Section_example.html
Mdoc/html/Section_howto.html
Mdoc/html/Section_packages.html
Mdoc/html/Section_perf.html
Mdoc/html/Section_start.html
Mdoc/html/_images/compute_dpd.jpg
Adoc/html/_images/fix_ehex_eom.jpg
Adoc/html/_images/fix_ehex_f.jpg
Adoc/html/_images/fix_eos_table_rx.jpg
Adoc/html/_images/fix_rx.jpg
Adoc/html/_images/fix_rx_localTemp.jpg
Adoc/html/_images/fix_rx_localTemp2.jpg
Adoc/html/_images/fix_rx_reaction.jpg
Adoc/html/_images/fix_rx_reactionRate.jpg
Adoc/html/_images/pair_exp6_rx.jpg
Adoc/html/_images/pair_exp6_rx_oneFluid.jpg
Adoc/html/_images/pair_exp6_rx_oneFluid2.jpg
Adoc/html/_images/pair_morse_soft.jpg
Mdoc/html/_images/pair_multi_lucy.jpg
Mdoc/html/_images/pair_multi_lucy2.jpg
Mdoc/html/_images/pair_multi_lucy_energy.jpg
Mdoc/html/_sources/Manual.txt
Mdoc/html/_sources/Section_accelerate.txt
Mdoc/html/_sources/Section_commands.txt
Mdoc/html/_sources/Section_example.txt
Mdoc/html/_sources/Section_intro.txt
Mdoc/html/_sources/Section_packages.txt
Mdoc/html/_sources/Section_perf.txt
Mdoc/html/_sources/Section_start.txt
Ddoc/html/_sources/accelerate_cuda.txt
Mdoc/html/_sources/accelerate_kokkos.txt
Mdoc/html/_sources/angle_charmm.txt
Mdoc/html/_sources/angle_class2.txt
Mdoc/html/_sources/angle_cosine.txt
Mdoc/html/_sources/angle_cosine_delta.txt
Mdoc/html/_sources/angle_cosine_periodic.txt
Mdoc/html/_sources/angle_cosine_shift.txt
Mdoc/html/_sources/angle_cosine_shift_exp.txt
Mdoc/html/_sources/angle_cosine_squared.txt
Mdoc/html/_sources/angle_dipole.txt
Mdoc/html/_sources/angle_fourier.txt
Mdoc/html/_sources/angle_fourier_simple.txt
Mdoc/html/_sources/angle_harmonic.txt
Mdoc/html/_sources/angle_quartic.txt
Mdoc/html/_sources/angle_table.txt
Mdoc/html/_sources/atom_style.txt
Mdoc/html/_sources/bond_class2.txt
Mdoc/html/_sources/bond_fene.txt
Mdoc/html/_sources/bond_fene_expand.txt
Mdoc/html/_sources/bond_harmonic.txt
Mdoc/html/_sources/bond_harmonic_shift.txt
Mdoc/html/_sources/bond_harmonic_shift_cut.txt
Mdoc/html/_sources/bond_morse.txt
Mdoc/html/_sources/bond_nonlinear.txt
Mdoc/html/_sources/bond_quartic.txt
Mdoc/html/_sources/bond_table.txt
Mdoc/html/_sources/bond_write.txt
Mdoc/html/_sources/change_box.txt
Mdoc/html/_sources/compute.txt
Mdoc/html/_sources/compute_dpd.txt
Mdoc/html/_sources/compute_dpd_atom.txt
Mdoc/html/_sources/compute_fep.txt
Mdoc/html/_sources/compute_pe.txt
Mdoc/html/_sources/compute_pressure.txt
Mdoc/html/_sources/compute_property_atom.txt
Mdoc/html/_sources/compute_temp.txt
Mdoc/html/_sources/compute_temp_deform.txt
Mdoc/html/_sources/compute_temp_partial.txt
Mdoc/html/_sources/compute_voronoi_atom.txt
Mdoc/html/_sources/dihedral_charmm.txt
Mdoc/html/_sources/dihedral_class2.txt
Mdoc/html/_sources/dihedral_cosine_shift_exp.txt
Mdoc/html/_sources/dihedral_fourier.txt
Mdoc/html/_sources/dihedral_harmonic.txt
Mdoc/html/_sources/dihedral_helix.txt
Mdoc/html/_sources/dihedral_multi_harmonic.txt
Mdoc/html/_sources/dihedral_nharmonic.txt
Mdoc/html/_sources/dihedral_opls.txt
Mdoc/html/_sources/dihedral_quadratic.txt
Mdoc/html/_sources/dihedral_table.txt
Mdoc/html/_sources/dump_image.txt
Mdoc/html/_sources/fix.txt
Mdoc/html/_sources/fix_addforce.txt
Mdoc/html/_sources/fix_ave_atom.txt
Mdoc/html/_sources/fix_ave_chunk.txt
Mdoc/html/_sources/fix_ave_correlate.txt
Mdoc/html/_sources/fix_ave_histo.txt
Ddoc/html/_sources/fix_ave_spatial.txt
Ddoc/html/_sources/fix_ave_spatial_sphere.txt
Mdoc/html/_sources/fix_ave_time.txt
Mdoc/html/_sources/fix_aveforce.txt
Mdoc/html/_sources/fix_deform.txt
Mdoc/html/_sources/fix_ehex.txt
Mdoc/html/_sources/fix_enforce2d.txt
Mdoc/html/_sources/fix_eos_cv.txt
Mdoc/html/_sources/fix_eos_table.txt
Adoc/html/_sources/fix_eos_table_rx.txt
Mdoc/html/_sources/fix_freeze.txt
Mdoc/html/_sources/fix_gcmc.txt
Mdoc/html/_sources/fix_gle.txt
Mdoc/html/_sources/fix_gravity.txt
Mdoc/html/_sources/fix_langevin.txt
Mdoc/html/_sources/fix_lb_rigid_pc_sphere.txt
Mdoc/html/_sources/fix_nh.txt
Mdoc/html/_sources/fix_nph_asphere.txt
Mdoc/html/_sources/fix_nph_body.txt
Mdoc/html/_sources/fix_nph_sphere.txt
Mdoc/html/_sources/fix_nphug.txt
Mdoc/html/_sources/fix_npt_asphere.txt
Mdoc/html/_sources/fix_npt_body.txt
Mdoc/html/_sources/fix_npt_sphere.txt
Mdoc/html/_sources/fix_nve.txt
Mdoc/html/_sources/fix_nve_asphere.txt
Mdoc/html/_sources/fix_nve_sphere.txt
Mdoc/html/_sources/fix_nvt_asphere.txt
Mdoc/html/_sources/fix_nvt_body.txt
Mdoc/html/_sources/fix_nvt_sllod.txt
Mdoc/html/_sources/fix_nvt_sphere.txt
Mdoc/html/_sources/fix_qeq_comb.txt
Mdoc/html/_sources/fix_rigid.txt
Adoc/html/_sources/fix_rx.txt
Mdoc/html/_sources/fix_setforce.txt
Mdoc/html/_sources/fix_shake.txt
Mdoc/html/_sources/fix_shardlow.txt
Mdoc/html/_sources/fix_temp_berendsen.txt
Mdoc/html/_sources/fix_temp_rescale.txt
Mdoc/html/_sources/fix_thermal_conductivity.txt
Mdoc/html/_sources/fix_viscosity.txt
Mdoc/html/_sources/fix_viscous.txt
Mdoc/html/_sources/fix_wall_reflect.txt
Mdoc/html/_sources/improper_class2.txt
Mdoc/html/_sources/improper_cossq.txt
Mdoc/html/_sources/improper_cvff.txt
Mdoc/html/_sources/improper_fourier.txt
Mdoc/html/_sources/improper_harmonic.txt
Mdoc/html/_sources/improper_ring.txt
Mdoc/html/_sources/improper_umbrella.txt
Mdoc/html/_sources/kspace_style.txt
Mdoc/html/_sources/package.txt
Mdoc/html/_sources/pair_adp.txt
Mdoc/html/_sources/pair_airebo.txt
Mdoc/html/_sources/pair_beck.txt
Mdoc/html/_sources/pair_born.txt
Mdoc/html/_sources/pair_brownian.txt
Mdoc/html/_sources/pair_buck.txt
Mdoc/html/_sources/pair_buck_long.txt
Mdoc/html/_sources/pair_charmm.txt
Mdoc/html/_sources/pair_class2.txt
Mdoc/html/_sources/pair_coeff.txt
Mdoc/html/_sources/pair_colloid.txt
Mdoc/html/_sources/pair_comb.txt
Mdoc/html/_sources/pair_coul.txt
Mdoc/html/_sources/pair_dipole.txt
Mdoc/html/_sources/pair_dpd.txt
Mdoc/html/_sources/pair_dpd_fdt.txt
Mdoc/html/_sources/pair_eam.txt
Mdoc/html/_sources/pair_edip.txt
Mdoc/html/_sources/pair_eim.txt
Adoc/html/_sources/pair_exp6_rx.txt
Mdoc/html/_sources/pair_gauss.txt
Mdoc/html/_sources/pair_gayberne.txt
Mdoc/html/_sources/pair_gran.txt
Mdoc/html/_sources/pair_gromacs.txt
Mdoc/html/_sources/pair_hbond_dreiding.txt
Mdoc/html/_sources/pair_hybrid.txt
Mdoc/html/_sources/pair_lj.txt
Mdoc/html/_sources/pair_lj96.txt
Mdoc/html/_sources/pair_lj_cubic.txt
Mdoc/html/_sources/pair_lj_expand.txt
Mdoc/html/_sources/pair_lj_long.txt
Mdoc/html/_sources/pair_lj_sf.txt
Mdoc/html/_sources/pair_lj_smooth.txt
Mdoc/html/_sources/pair_lj_smooth_linear.txt
Mdoc/html/_sources/pair_lj_soft.txt
Mdoc/html/_sources/pair_lubricate.txt
Mdoc/html/_sources/pair_meam_spline.txt
Mdoc/html/_sources/pair_morse.txt
Mdoc/html/_sources/pair_multi_lucy.txt
Adoc/html/_sources/pair_multi_lucy_rx.txt
Mdoc/html/_sources/pair_nb3b_harmonic.txt
Mdoc/html/_sources/pair_nm.txt
Mdoc/html/_sources/pair_peri.txt
Mdoc/html/_sources/pair_resquared.txt
Mdoc/html/_sources/pair_sdk.txt
Mdoc/html/_sources/pair_soft.txt
Mdoc/html/_sources/pair_sw.txt
Pdoc/html/_sources/pair_table.txt
Copied to doc/html/_sources/pair_table_rx.txt
Pdoc/html/_sources/pair_table_rx.txt
Copied from doc/html/_sources/pair_table.txt
Mdoc/html/_sources/pair_tersoff.txt
Mdoc/html/_sources/pair_tersoff_mod.txt
Mdoc/html/_sources/pair_tersoff_zbl.txt
Mdoc/html/_sources/pair_thole.txt
Mdoc/html/_sources/pair_vashishta.txt
Mdoc/html/_sources/pair_yukawa.txt
Mdoc/html/_sources/pair_yukawa_colloid.txt
Mdoc/html/_sources/pair_zbl.txt
Mdoc/html/_sources/prd.txt
Mdoc/html/_sources/set.txt
Mdoc/html/_sources/suffix.txt
Mdoc/html/_sources/tad.txt
Mdoc/html/_sources/tutorial_drude.txt
Mdoc/html/_sources/tutorial_github.txt
Mdoc/html/_sources/variable.txt
Mdoc/html/_static/basic.css
Mdoc/html/_static/doctools.js
Ddoc/html/accelerate_cuda.html
Mdoc/html/accelerate_kokkos.html
Mdoc/html/angle_charmm.html
Mdoc/html/angle_class2.html
Mdoc/html/angle_cosine.html
Mdoc/html/angle_cosine_delta.html
Mdoc/html/angle_cosine_periodic.html
Mdoc/html/angle_cosine_shift.html
Mdoc/html/angle_cosine_shift_exp.html
Mdoc/html/angle_cosine_squared.html
Mdoc/html/angle_dipole.html
Mdoc/html/angle_fourier.html
Mdoc/html/angle_fourier_simple.html
Mdoc/html/angle_harmonic.html
Mdoc/html/angle_quartic.html
Mdoc/html/angle_table.html
Mdoc/html/atom_style.html
Mdoc/html/bond_class2.html
Mdoc/html/bond_fene.html
Mdoc/html/bond_fene_expand.html
Mdoc/html/bond_harmonic.html
Mdoc/html/bond_harmonic_shift.html
Mdoc/html/bond_harmonic_shift_cut.html
Mdoc/html/bond_morse.html
Mdoc/html/bond_nonlinear.html
Mdoc/html/bond_quartic.html
Mdoc/html/bond_table.html
Mdoc/html/change_box.html
Mdoc/html/compute.html
Mdoc/html/compute_dpd.html
Mdoc/html/compute_dpd_atom.html
Mdoc/html/compute_fep.html
Mdoc/html/compute_pe.html
Mdoc/html/compute_pressure.html
Mdoc/html/compute_property_atom.html
Mdoc/html/compute_temp.html
Mdoc/html/compute_temp_deform.html
Mdoc/html/compute_temp_partial.html
Mdoc/html/compute_voronoi_atom.html
Mdoc/html/dihedral_charmm.html
Mdoc/html/dihedral_class2.html
Mdoc/html/dihedral_cosine_shift_exp.html
Mdoc/html/dihedral_fourier.html
Mdoc/html/dihedral_harmonic.html
Mdoc/html/dihedral_helix.html
Mdoc/html/dihedral_multi_harmonic.html
Mdoc/html/dihedral_nharmonic.html
Mdoc/html/dihedral_opls.html
Mdoc/html/dihedral_quadratic.html
Mdoc/html/dihedral_table.html
Mdoc/html/fix.html
Mdoc/html/fix_addforce.html
Mdoc/html/fix_ave_atom.html
Mdoc/html/fix_ave_chunk.html
Mdoc/html/fix_ave_correlate.html
Mdoc/html/fix_ave_histo.html
Ddoc/html/fix_ave_spatial.html
Ddoc/html/fix_ave_spatial_sphere.html
Mdoc/html/fix_ave_time.html
Mdoc/html/fix_aveforce.html
Mdoc/html/fix_deform.html
Mdoc/html/fix_ehex.html
Mdoc/html/fix_enforce2d.html
Mdoc/html/fix_eos_cv.html
Pdoc/html/fix_eos_table.html
Copied to doc/html/fix_eos_table_rx.html
Pdoc/html/fix_eos_table_rx.html
Copied from doc/html/fix_eos_table.html
Mdoc/html/fix_freeze.html
Mdoc/html/fix_gcmc.html
Mdoc/html/fix_gravity.html
Mdoc/html/fix_langevin.html
Mdoc/html/fix_lb_rigid_pc_sphere.html
Mdoc/html/fix_nh.html
Mdoc/html/fix_nph_asphere.html
Mdoc/html/fix_nph_body.html
Mdoc/html/fix_nph_sphere.html
Mdoc/html/fix_nphug.html
Mdoc/html/fix_npt_asphere.html
Mdoc/html/fix_npt_body.html
Mdoc/html/fix_npt_sphere.html
Mdoc/html/fix_nve.html
Mdoc/html/fix_nve_asphere.html
Mdoc/html/fix_nve_sphere.html
Mdoc/html/fix_nvt_asphere.html
Mdoc/html/fix_nvt_body.html
Mdoc/html/fix_nvt_sllod.html
Mdoc/html/fix_nvt_sphere.html
Mdoc/html/fix_qeq_comb.html
Mdoc/html/fix_rigid.html
Adoc/html/fix_rx.html
Mdoc/html/fix_setforce.html
Mdoc/html/fix_shake.html
Mdoc/html/fix_shardlow.html
Mdoc/html/fix_temp_berendsen.html
Mdoc/html/fix_temp_rescale.html
Mdoc/html/fix_thermal_conductivity.html
Mdoc/html/fix_viscosity.html
Mdoc/html/fix_viscous.html
Mdoc/html/fix_wall_reflect.html
Mdoc/html/genindex.html
Mdoc/html/improper_class2.html
Mdoc/html/improper_cossq.html
Mdoc/html/improper_cvff.html
Mdoc/html/improper_fourier.html
Mdoc/html/improper_harmonic.html
Mdoc/html/improper_ring.html
Mdoc/html/improper_umbrella.html
Mdoc/html/kspace_style.html
Mdoc/html/package.html
Mdoc/html/pair_adp.html
Mdoc/html/pair_airebo.html
Mdoc/html/pair_beck.html
Mdoc/html/pair_born.html
Mdoc/html/pair_brownian.html
Mdoc/html/pair_buck.html
Mdoc/html/pair_buck_long.html
Mdoc/html/pair_charmm.html
Mdoc/html/pair_class2.html
Mdoc/html/pair_coeff.html
Mdoc/html/pair_colloid.html
Mdoc/html/pair_comb.html
Mdoc/html/pair_coul.html
Mdoc/html/pair_dipole.html
Mdoc/html/pair_dpd.html
Mdoc/html/pair_dpd_fdt.html
Mdoc/html/pair_eam.html
Mdoc/html/pair_edip.html
Mdoc/html/pair_eim.html
Adoc/html/pair_exp6_rx.html
Mdoc/html/pair_gauss.html
Mdoc/html/pair_gayberne.html
Mdoc/html/pair_gran.html
Mdoc/html/pair_gromacs.html
Mdoc/html/pair_hbond_dreiding.html
Mdoc/html/pair_hybrid.html
Mdoc/html/pair_lj.html
Mdoc/html/pair_lj96.html
Mdoc/html/pair_lj_cubic.html
Mdoc/html/pair_lj_expand.html
Mdoc/html/pair_lj_long.html
Mdoc/html/pair_lj_sf.html
Mdoc/html/pair_lj_smooth.html
Mdoc/html/pair_lj_smooth_linear.html
Mdoc/html/pair_lj_soft.html
Mdoc/html/pair_lubricate.html
Mdoc/html/pair_meam_spline.html
Mdoc/html/pair_modify.html
Mdoc/html/pair_morse.html
Pdoc/html/pair_multi_lucy.html
Copied to doc/html/pair_multi_lucy_rx.html
Pdoc/html/pair_multi_lucy_rx.html
Copied from doc/html/pair_multi_lucy.html
Mdoc/html/pair_nb3b_harmonic.html
Mdoc/html/pair_nm.html
Mdoc/html/pair_peri.html
Mdoc/html/pair_resquared.html
Mdoc/html/pair_sdk.html
Mdoc/html/pair_soft.html
Mdoc/html/pair_sw.html
Pdoc/html/pair_table.html
Copied to doc/html/pair_table_rx.html
Pdoc/html/pair_table_rx.html
Copied from doc/html/pair_table.html
Mdoc/html/pair_tersoff.html
Mdoc/html/pair_tersoff_mod.html
Mdoc/html/pair_tersoff_zbl.html
Mdoc/html/pair_thole.html
Mdoc/html/pair_vashishta.html
Mdoc/html/pair_yukawa.html
Mdoc/html/pair_yukawa_colloid.html
Mdoc/html/pair_zbl.html
Mdoc/html/prd.html
Mdoc/html/searchindex.js
Mdoc/html/set.html
Mdoc/html/suffix.html
Mdoc/html/tad.html
Mdoc/html/tutorial_drude.html
Mdoc/html/tutorial_github.html
Mdoc/html/variable.html
Mdoc/lammps.book
Mdoc/src/Eqs/compute_dpd.jpg
Mdoc/src/Eqs/compute_dpd.tex
Adoc/src/Eqs/fix_ehex_eom.jpg
Adoc/src/Eqs/fix_ehex_eom.tex
Adoc/src/Eqs/fix_ehex_f.jpg
Adoc/src/Eqs/fix_ehex_f.tex
Adoc/src/Eqs/fix_eos_table_rx.jpg
Adoc/src/Eqs/fix_eos_table_rx.tex
Adoc/src/Eqs/fix_rx.jpg
Adoc/src/Eqs/fix_rx.tex
Adoc/src/Eqs/fix_rx_localTemp.jpg
Adoc/src/Eqs/fix_rx_localTemp.tex
Adoc/src/Eqs/fix_rx_localTemp2.jpg
Adoc/src/Eqs/fix_rx_localTemp2.tex
Adoc/src/Eqs/fix_rx_reaction.jpg
Adoc/src/Eqs/fix_rx_reaction.tex
Adoc/src/Eqs/fix_rx_reactionRate.jpg
Adoc/src/Eqs/fix_rx_reactionRate.tex
Adoc/src/Eqs/pair_exp6_rx.jpg
Adoc/src/Eqs/pair_exp6_rx.tex
Adoc/src/Eqs/pair_exp6_rx_oneFluid.jpg
Adoc/src/Eqs/pair_exp6_rx_oneFluid.tex
Adoc/src/Eqs/pair_exp6_rx_oneFluid2.jpg
Adoc/src/Eqs/pair_exp6_rx_oneFluid2.tex
Adoc/src/Eqs/pair_morse_soft.jpg
Mdoc/src/Eqs/pair_multi_lucy.jpg
Mdoc/src/Eqs/pair_multi_lucy2.jpg
Mdoc/src/Eqs/pair_multi_lucy_energy.jpg
Mdoc/src/Manual.txt
Mdoc/src/PDF/colvars-refman-lammps.pdf
Mdoc/src/Section_accelerate.txt
Mdoc/src/Section_commands.txt
Mdoc/src/Section_example.txt
Mdoc/src/Section_packages.txt
Mdoc/src/Section_start.txt
Ddoc/src/accelerate_cuda.txt
Mdoc/src/accelerate_gpu.txt
Mdoc/src/accelerate_intel.txt
Mdoc/src/accelerate_kokkos.txt
Mdoc/src/accelerate_omp.txt
Mdoc/src/accelerate_opt.txt
Mdoc/src/angle_charmm.txt
Mdoc/src/angle_class2.txt
Mdoc/src/angle_cosine.txt
Mdoc/src/angle_cosine_delta.txt
Mdoc/src/angle_cosine_periodic.txt
Mdoc/src/angle_cosine_shift.txt
Mdoc/src/angle_cosine_shift_exp.txt
Mdoc/src/angle_cosine_squared.txt
Mdoc/src/angle_dipole.txt
Mdoc/src/angle_fourier.txt
Mdoc/src/angle_fourier_simple.txt
Mdoc/src/angle_harmonic.txt
Mdoc/src/angle_quartic.txt
Mdoc/src/angle_table.txt
Mdoc/src/atom_style.txt
Mdoc/src/bond_class2.txt
Mdoc/src/bond_fene.txt
Mdoc/src/bond_fene_expand.txt
Mdoc/src/bond_harmonic.txt
Mdoc/src/bond_harmonic_shift.txt
Mdoc/src/bond_harmonic_shift_cut.txt
Mdoc/src/bond_morse.txt
Mdoc/src/bond_nonlinear.txt
Mdoc/src/bond_quartic.txt
Mdoc/src/bond_table.txt
Mdoc/src/change_box.txt
Mdoc/src/compute.txt
Mdoc/src/compute_dpd.txt
Mdoc/src/compute_dpd_atom.txt
Mdoc/src/compute_fep.txt
Mdoc/src/compute_pe.txt
Mdoc/src/compute_pressure.txt
Mdoc/src/compute_property_atom.txt
Mdoc/src/compute_temp.txt
Mdoc/src/compute_temp_deform.txt
Mdoc/src/compute_temp_partial.txt
Mdoc/src/dihedral_charmm.txt
Mdoc/src/dihedral_class2.txt
Mdoc/src/dihedral_cosine_shift_exp.txt
Mdoc/src/dihedral_fourier.txt
Mdoc/src/dihedral_harmonic.txt
Mdoc/src/dihedral_helix.txt
Mdoc/src/dihedral_multi_harmonic.txt
Mdoc/src/dihedral_nharmonic.txt
Mdoc/src/dihedral_opls.txt
Mdoc/src/dihedral_quadratic.txt
Mdoc/src/dihedral_table.txt
Mdoc/src/fix.txt
Mdoc/src/fix_addforce.txt
Mdoc/src/fix_ave_atom.txt
Mdoc/src/fix_ave_chunk.txt
Mdoc/src/fix_ave_correlate.txt
Mdoc/src/fix_ave_histo.txt
Ddoc/src/fix_ave_spatial.txt
Ddoc/src/fix_ave_spatial_sphere.txt
Mdoc/src/fix_ave_time.txt
Mdoc/src/fix_aveforce.txt
Mdoc/src/fix_deform.txt
Mdoc/src/fix_ehex.txt
Mdoc/src/fix_enforce2d.txt
Mdoc/src/fix_eos_cv.txt
Mdoc/src/fix_eos_table.txt
Adoc/src/fix_eos_table_rx.txt
Mdoc/src/fix_freeze.txt
Mdoc/src/fix_gravity.txt
Mdoc/src/fix_langevin.txt
Mdoc/src/fix_lb_rigid_pc_sphere.txt
Mdoc/src/fix_nh.txt
Mdoc/src/fix_nph_asphere.txt
Mdoc/src/fix_nph_body.txt
Mdoc/src/fix_nph_sphere.txt
Mdoc/src/fix_nphug.txt
Mdoc/src/fix_npt_asphere.txt
Mdoc/src/fix_npt_body.txt
Mdoc/src/fix_npt_sphere.txt
Mdoc/src/fix_nve.txt
Mdoc/src/fix_nve_asphere.txt
Mdoc/src/fix_nve_sphere.txt
Mdoc/src/fix_nvt_asphere.txt
Mdoc/src/fix_nvt_body.txt
Mdoc/src/fix_nvt_sllod.txt
Mdoc/src/fix_nvt_sphere.txt
Mdoc/src/fix_qeq_comb.txt
Mdoc/src/fix_rigid.txt
Adoc/src/fix_rx.txt
Mdoc/src/fix_setforce.txt
Mdoc/src/fix_shake.txt
Mdoc/src/fix_shardlow.txt
Mdoc/src/fix_temp_berendsen.txt
Mdoc/src/fix_temp_rescale.txt
Mdoc/src/fix_thermal_conductivity.txt
Mdoc/src/fix_viscosity.txt
Mdoc/src/fix_viscous.txt
Mdoc/src/fix_wall_reflect.txt
Mdoc/src/improper_class2.txt
Mdoc/src/improper_cossq.txt
Mdoc/src/improper_cvff.txt
Mdoc/src/improper_fourier.txt
Mdoc/src/improper_harmonic.txt
Mdoc/src/improper_ring.txt
Mdoc/src/improper_umbrella.txt
Mdoc/src/kspace_style.txt
Mdoc/src/package.txt
Mdoc/src/pair_adp.txt
Mdoc/src/pair_airebo.txt
Mdoc/src/pair_beck.txt
Mdoc/src/pair_born.txt
Mdoc/src/pair_brownian.txt
Mdoc/src/pair_buck.txt
Mdoc/src/pair_buck_long.txt
Mdoc/src/pair_charmm.txt
Mdoc/src/pair_class2.txt
Mdoc/src/pair_coeff.txt
Mdoc/src/pair_colloid.txt
Mdoc/src/pair_comb.txt
Mdoc/src/pair_coul.txt
Mdoc/src/pair_dipole.txt
Mdoc/src/pair_dpd.txt
Mdoc/src/pair_dpd_fdt.txt
Mdoc/src/pair_eam.txt
Mdoc/src/pair_edip.txt
Mdoc/src/pair_eim.txt
Adoc/src/pair_exp6_rx.txt
Mdoc/src/pair_gauss.txt
Mdoc/src/pair_gayberne.txt
Mdoc/src/pair_gran.txt
Mdoc/src/pair_gromacs.txt
Mdoc/src/pair_hbond_dreiding.txt
Mdoc/src/pair_hybrid.txt
Mdoc/src/pair_lj.txt
Mdoc/src/pair_lj96.txt
Mdoc/src/pair_lj_cubic.txt
Mdoc/src/pair_lj_expand.txt
Mdoc/src/pair_lj_long.txt
Mdoc/src/pair_lj_sf.txt
Mdoc/src/pair_lj_smooth.txt
Mdoc/src/pair_lj_smooth_linear.txt
Mdoc/src/pair_lj_soft.txt
Mdoc/src/pair_lubricate.txt
Mdoc/src/pair_meam_spline.txt
Mdoc/src/pair_morse.txt
Mdoc/src/pair_multi_lucy.txt
Adoc/src/pair_multi_lucy_rx.txt
Mdoc/src/pair_nb3b_harmonic.txt
Mdoc/src/pair_nm.txt
Mdoc/src/pair_peri.txt
Mdoc/src/pair_resquared.txt
Mdoc/src/pair_sdk.txt
Mdoc/src/pair_soft.txt
Mdoc/src/pair_sw.txt
Pdoc/src/pair_table.txt
Copied to doc/src/pair_table_rx.txt
Pdoc/src/pair_table_rx.txt
Copied from doc/src/pair_table.txt
Mdoc/src/pair_tersoff.txt
Mdoc/src/pair_tersoff_mod.txt
Mdoc/src/pair_tersoff_zbl.txt
Mdoc/src/pair_thole.txt
Mdoc/src/pair_vashishta.txt
Mdoc/src/pair_yukawa.txt
Mdoc/src/pair_yukawa_colloid.txt
Mdoc/src/pair_zbl.txt
Mdoc/src/prd.txt
Mdoc/src/set.txt
Mdoc/src/suffix.txt
Mdoc/src/tad.txt
Mdoc/src/tutorial_drude.txt
Mdoc/src/variable.txt
Mdoc/utils/converters/lammpsdoc/txt2html.py
Mdoc/utils/converters/lammpsdoc/txt2rst.py
Mdoc/utils/converters/tests/test_txt2rst.py
Ddoc/utils/sphinx-config/_themes/lammps_theme/static/css/badge_only.css.map
Ddoc/utils/sphinx-config/_themes/lammps_theme/static/css/theme.css.map
Aexamples/HEAT/README
Mexamples/KAPPA/README
Pexamples/KAPPA/in.ehex
Copied from examples/KAPPA/in.heat
Pexamples/KAPPA/in.heat
Copied to examples/KAPPA/in.ehex
Mexamples/KAPPA/in.langevin
Mexamples/KAPPA/in.mp
Aexamples/KAPPA/log.ehex.7Jun16
Dexamples/KAPPA/log.heat.1Feb14
Aexamples/KAPPA/log.heat.7Jun16
Aexamples/KAPPA/profile.ehex.7Jun16
Dexamples/KAPPA/profile.heat.1Feb14
Aexamples/KAPPA/profile.heat.7Jun16
Mexamples/README
Mexamples/USER/dpd/README
A(dir)examples/USER/dpd/dpdrx-shardlow/
Aexamples/USER/dpd/dpdrx-shardlow/in.dpdrx
Aexamples/USER/dpd/dpdrx-shardlow/kinetics.dpdrx
Aexamples/USER/dpd/dpdrx-shardlow/params.exp6
Aexamples/USER/dpd/dpdrx-shardlow/table.eos
Aexamples/USER/dpd/dpdrx-shardlow/thermo.dpdrx
Aexamples/USER/dpd/dpdrx-shardlow/thermo.dpdrx.new
Mexamples/VISCOSITY/in.mp.2d
Mexamples/VISCOSITY/in.nemd.2d
Mexamples/VISCOSITY/in.wall.2d
Mlib/colvars/colvar.cpp
Mlib/colvars/colvar.h
Mlib/colvars/colvardeps.cpp
Mlib/colvars/colvarmodule.cpp
Mlib/colvars/colvarmodule.h
Mlib/cuda/Makefile.common
Mlib/cuda/Makefile.cudalib
Mlib/cuda/Makefile.defaults
Mlib/qmmm/Makefile.gfortran
Mlib/qmmm/pwqmmm.c
Mlib/voronoi/Makefile.32-bit
Mlib/voronoi/Makefile.g++
Mlib/voronoi/Makefile.mingw32-cross
Mlib/voronoi/Makefile.mingw64-cross
Mpython/lammps.py
Msrc/.gitignore
Msrc/ASPHERE/fix_nph_asphere.cpp
Msrc/ASPHERE/fix_npt_asphere.cpp
Msrc/ASPHERE/fix_nvt_asphere.cpp
Msrc/BODY/fix_nph_body.cpp
Msrc/BODY/fix_npt_body.cpp
Msrc/BODY/fix_nvt_body.cpp
Msrc/Depend.sh
Msrc/GPU/fix_gpu.cpp
Msrc/KOKKOS/fix_nph_kokkos.cpp
Msrc/KOKKOS/fix_npt_kokkos.cpp
Msrc/KOKKOS/fix_nvt_kokkos.cpp
Msrc/MANYBODY/pair_vashishta.cpp
Msrc/MC/fix_tfmc.cpp
Msrc/Makefile
Msrc/Purge.list
Asrc/RIGID/fix_ehex.cpp
Asrc/RIGID/fix_ehex.h
Msrc/RIGID/fix_rattle.cpp
Msrc/RIGID/fix_rattle.h
Msrc/RIGID/fix_rigid_nh.cpp
Msrc/RIGID/fix_rigid_nh.h
Msrc/RIGID/fix_rigid_nh_small.cpp
Msrc/RIGID/fix_rigid_nh_small.h
Msrc/RIGID/fix_shake.cpp
Msrc/RIGID/fix_shake.h
Msrc/SHOCK/fix_nphug.cpp
Dsrc/USER-CUDA
Dsrc/USER-CUDA/Install.sh
Dsrc/USER-CUDA/README
Dsrc/USER-CUDA/atom_vec_angle_cuda.cpp
Dsrc/USER-CUDA/atom_vec_angle_cuda.h
Dsrc/USER-CUDA/atom_vec_atomic_cuda.cpp
Dsrc/USER-CUDA/atom_vec_atomic_cuda.h
Dsrc/USER-CUDA/atom_vec_charge_cuda.cpp
Dsrc/USER-CUDA/atom_vec_charge_cuda.h
Dsrc/USER-CUDA/atom_vec_full_cuda.cpp
Dsrc/USER-CUDA/atom_vec_full_cuda.h
Dsrc/USER-CUDA/comm_cuda.cpp
Dsrc/USER-CUDA/comm_cuda.h
Dsrc/USER-CUDA/compute_pe_cuda.cpp
Dsrc/USER-CUDA/compute_pe_cuda.h
Dsrc/USER-CUDA/compute_pressure_cuda.cpp
Dsrc/USER-CUDA/compute_pressure_cuda.h
Dsrc/USER-CUDA/compute_temp_cuda.cpp
Dsrc/USER-CUDA/compute_temp_cuda.h
Dsrc/USER-CUDA/compute_temp_partial_cuda.cpp
Dsrc/USER-CUDA/compute_temp_partial_cuda.h
Dsrc/USER-CUDA/cuda.cpp
Dsrc/USER-CUDA/cuda_data.h
Dsrc/USER-CUDA/cuda_modify_flags.h
Dsrc/USER-CUDA/cuda_neigh_list.cpp
Dsrc/USER-CUDA/cuda_neigh_list.h
Dsrc/USER-CUDA/domain_cuda.cpp
Dsrc/USER-CUDA/domain_cuda.h
Dsrc/USER-CUDA/fft3d_cuda.cpp
Dsrc/USER-CUDA/fft3d_cuda.h
Dsrc/USER-CUDA/fft3d_wrap_cuda.cpp
Dsrc/USER-CUDA/fft3d_wrap_cuda.h
Dsrc/USER-CUDA/fix_addforce_cuda.cpp
Dsrc/USER-CUDA/fix_addforce_cuda.h
Dsrc/USER-CUDA/fix_aveforce_cuda.cpp
Dsrc/USER-CUDA/fix_aveforce_cuda.h
Dsrc/USER-CUDA/fix_enforce2d_cuda.cpp
Dsrc/USER-CUDA/fix_enforce2d_cuda.h
Dsrc/USER-CUDA/fix_freeze_cuda.cpp
Dsrc/USER-CUDA/fix_freeze_cuda.h
Dsrc/USER-CUDA/fix_gravity_cuda.cpp
Dsrc/USER-CUDA/fix_gravity_cuda.h
Dsrc/USER-CUDA/fix_nh_cuda.cpp
Dsrc/USER-CUDA/fix_nh_cuda.h
Dsrc/USER-CUDA/fix_npt_cuda.cpp
Vsrc/{USER-CUDA/fix_npt_cuda.h → fix_deprecated.h}
Dsrc/USER-CUDA/fix_nve_cuda.cpp
Dsrc/USER-CUDA/fix_nve_cuda.h
Dsrc/USER-CUDA/fix_nvt_cuda.cpp
Dsrc/USER-CUDA/fix_nvt_cuda.h
Dsrc/USER-CUDA/fix_set_force_cuda.cpp
Dsrc/USER-CUDA/fix_set_force_cuda.h
Dsrc/USER-CUDA/fix_shake_cuda.cpp
Dsrc/USER-CUDA/fix_shake_cuda.h
Dsrc/USER-CUDA/fix_temp_berendsen_cuda.cpp
Dsrc/USER-CUDA/fix_temp_berendsen_cuda.h
Dsrc/USER-CUDA/fix_temp_rescale_cuda.cpp
Dsrc/USER-CUDA/fix_temp_rescale_cuda.h
Dsrc/USER-CUDA/fix_temp_rescale_limit_cuda.cpp
Dsrc/USER-CUDA/fix_temp_rescale_limit_cuda.h
Dsrc/USER-CUDA/fix_viscous_cuda.cpp
Dsrc/USER-CUDA/fix_viscous_cuda.h
Dsrc/USER-CUDA/modify_cuda.cpp
Dsrc/USER-CUDA/modify_cuda.h
Dsrc/USER-CUDA/neigh_full_cuda.cpp
Dsrc/USER-CUDA/neighbor_cuda.cpp
Dsrc/USER-CUDA/neighbor_cuda.h
Dsrc/USER-CUDA/pair_born_coul_long_cuda.cpp
Dsrc/USER-CUDA/pair_born_coul_long_cuda.h
Dsrc/USER-CUDA/pair_buck_coul_cut_cuda.cpp
Dsrc/USER-CUDA/pair_buck_coul_cut_cuda.h
Dsrc/USER-CUDA/pair_buck_coul_long_cuda.cpp
Dsrc/USER-CUDA/pair_buck_coul_long_cuda.h
Dsrc/USER-CUDA/pair_buck_cuda.cpp
Dsrc/USER-CUDA/pair_buck_cuda.h
Dsrc/USER-CUDA/pair_eam_alloy_cuda.cpp
Dsrc/USER-CUDA/pair_eam_alloy_cuda.h
Dsrc/USER-CUDA/pair_eam_cuda.cpp
Dsrc/USER-CUDA/pair_eam_cuda.h
Dsrc/USER-CUDA/pair_eam_fs_cuda.cpp
Dsrc/USER-CUDA/pair_eam_fs_cuda.h
Dsrc/USER-CUDA/pair_gran_hooke_cuda.cpp
Dsrc/USER-CUDA/pair_gran_hooke_cuda.h
Dsrc/USER-CUDA/pair_lj96_cut_cuda.cpp
Dsrc/USER-CUDA/pair_lj96_cut_cuda.h
Dsrc/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.cpp
Dsrc/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.h
Dsrc/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.cpp
Dsrc/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.h
Dsrc/USER-CUDA/pair_lj_charmm_coul_long_cuda.cpp
Dsrc/USER-CUDA/pair_lj_charmm_coul_long_cuda.h
Dsrc/USER-CUDA/pair_lj_class2_coul_cut_cuda.cpp
Dsrc/USER-CUDA/pair_lj_class2_coul_cut_cuda.h
Dsrc/USER-CUDA/pair_lj_class2_coul_long_cuda.cpp
Dsrc/USER-CUDA/pair_lj_class2_coul_long_cuda.h
Dsrc/USER-CUDA/pair_lj_class2_cuda.cpp
Dsrc/USER-CUDA/pair_lj_class2_cuda.h
Dsrc/USER-CUDA/pair_lj_cut_coul_cut_cuda.cpp
Dsrc/USER-CUDA/pair_lj_cut_coul_cut_cuda.h
Dsrc/USER-CUDA/pair_lj_cut_coul_debye_cuda.cpp
Dsrc/USER-CUDA/pair_lj_cut_coul_debye_cuda.h
Dsrc/USER-CUDA/pair_lj_cut_coul_long_cuda.cpp
Dsrc/USER-CUDA/pair_lj_cut_coul_long_cuda.h
Dsrc/USER-CUDA/pair_lj_cut_cuda.cpp
Dsrc/USER-CUDA/pair_lj_cut_cuda.h
Dsrc/USER-CUDA/pair_lj_cut_experimental_cuda.cpp
Dsrc/USER-CUDA/pair_lj_cut_experimental_cuda.h
Dsrc/USER-CUDA/pair_lj_expand_cuda.cpp
Dsrc/USER-CUDA/pair_lj_expand_cuda.h
Dsrc/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.cpp
Dsrc/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.h
Dsrc/USER-CUDA/pair_lj_gromacs_cuda.cpp
Dsrc/USER-CUDA/pair_lj_gromacs_cuda.h
Dsrc/USER-CUDA/pair_lj_sdk_coul_long_cuda.cpp
Dsrc/USER-CUDA/pair_lj_sdk_coul_long_cuda.h
Dsrc/USER-CUDA/pair_lj_sdk_cuda.cpp
Dsrc/USER-CUDA/pair_lj_sdk_cuda.h
Dsrc/USER-CUDA/pair_lj_smooth_cuda.cpp
Dsrc/USER-CUDA/pair_lj_smooth_cuda.h
Dsrc/USER-CUDA/pair_morse_cuda.cpp
Dsrc/USER-CUDA/pair_morse_cuda.h
Dsrc/USER-CUDA/pair_sw_cuda.cpp
Dsrc/USER-CUDA/pair_sw_cuda.h
Dsrc/USER-CUDA/pair_tersoff_cuda.cpp
Dsrc/USER-CUDA/pair_tersoff_cuda.h
Dsrc/USER-CUDA/pair_tersoff_zbl_cuda.cpp
Dsrc/USER-CUDA/pair_tersoff_zbl_cuda.h
Dsrc/USER-CUDA/pppm_cuda.cpp
Dsrc/USER-CUDA/pppm_cuda.h
Dsrc/USER-CUDA/pppm_old.cpp
Dsrc/USER-CUDA/pppm_old.h
Dsrc/USER-CUDA/user_cuda.h
Dsrc/USER-CUDA/verlet_cuda.cpp
Dsrc/USER-CUDA/verlet_cuda.h
Msrc/USER-DPD/atom_vec_dpd.cpp
Msrc/USER-DPD/atom_vec_dpd.h
Msrc/USER-DPD/compute_dpd.cpp
Msrc/USER-DPD/compute_dpd_atom.cpp
Msrc/USER-DPD/fix_eos_table.cpp
Asrc/USER-DPD/fix_eos_table_rx.cpp
Asrc/USER-DPD/fix_eos_table_rx.h
Asrc/USER-DPD/fix_rx.cpp
Asrc/USER-DPD/fix_rx.h
Asrc/USER-DPD/pair_exp6_rx.cpp
Asrc/USER-DPD/pair_exp6_rx.h
Psrc/USER-DPD/pair_multi_lucy.cpp
Copied to src/USER-DPD/pair_multi_lucy_rx.cpp
Psrc/USER-DPD/pair_multi_lucy_rx.cpp
Copied from src/USER-DPD/pair_multi_lucy.cpp
Asrc/USER-DPD/pair_multi_lucy_rx.h
Psrc/USER-DPD/pair_table_rx.cpp
Copied from src/pair_table.cpp
Asrc/USER-DPD/pair_table_rx.h
Msrc/USER-EFF/fix_nph_eff.cpp
Msrc/USER-EFF/fix_npt_eff.cpp
Msrc/USER-EFF/fix_nvt_eff.cpp
Msrc/USER-EFF/fix_nvt_sllod_eff.cpp
Msrc/USER-INTEL/fix_npt_intel.cpp
Msrc/USER-INTEL/fix_nvt_intel.cpp
Msrc/USER-INTEL/fix_nvt_sllod_intel.cpp
Msrc/USER-MISC/README
Dsrc/USER-MISC/fix_ave_spatial_sphere.cpp
Dsrc/USER-MISC/fix_ave_spatial_sphere.h
Msrc/USER-OMP/fix_nph_asphere_omp.cpp
Msrc/USER-OMP/fix_nph_omp.cpp
Msrc/USER-OMP/fix_nph_sphere_omp.cpp
Msrc/USER-OMP/fix_nphug_omp.cpp
Msrc/USER-OMP/fix_npt_asphere_omp.cpp
Msrc/USER-OMP/fix_npt_omp.cpp
Msrc/USER-OMP/fix_npt_sphere_omp.cpp
Msrc/USER-OMP/fix_nvt_asphere_omp.cpp
Msrc/USER-OMP/fix_nvt_omp.cpp
Msrc/USER-OMP/fix_nvt_sllod_omp.cpp
Msrc/USER-OMP/fix_nvt_sphere_omp.cpp
Msrc/USER-OMP/fix_omp.cpp
Msrc/USER-REAXC/pair_reax_c.cpp
Msrc/USER-TALLY/compute_force_tally.cpp
Msrc/USER-TALLY/compute_pe_tally.cpp
Msrc/USER-TALLY/compute_stress_tally.cpp
Dsrc/accelerator_cuda.h
Msrc/atom.cpp
Msrc/atom_vec.cpp
Msrc/atom_vec.h
Msrc/balance.cpp
Msrc/comm.cpp
Msrc/comm_tiled.cpp
Msrc/compute_angmom_chunk.cpp
Msrc/compute_dipole_chunk.cpp
Msrc/compute_gyration.cpp
Msrc/compute_gyration_chunk.cpp
Msrc/compute_inertia_chunk.cpp
Msrc/compute_msd_chunk.cpp
Msrc/compute_omega_chunk.cpp
Msrc/compute_temp_chunk.cpp
Msrc/compute_torque_chunk.cpp
Msrc/compute_vcm_chunk.cpp
Dsrc/fix_ave_spatial.cpp
Dsrc/fix_ave_spatial.h
Asrc/fix_deprecated.cpp
Vsrc/{fix_deprecated.h ← USER-CUDA/fix_npt_cuda.h}
Msrc/fix_heat.cpp
Msrc/fix_momentum.cpp
Msrc/fix_nh.cpp
Msrc/fix_nh.h
Msrc/fix_nph.cpp
Msrc/fix_nph_sphere.cpp
Msrc/fix_npt.cpp
Msrc/fix_npt_sphere.cpp
Msrc/fix_nvt.cpp
Msrc/fix_nvt_sllod.cpp
Msrc/fix_nvt_sphere.cpp
Msrc/fix_recenter.cpp
Msrc/fix_spring.cpp
Msrc/fix_spring_rg.cpp
Msrc/fix_tmd.cpp
Msrc/info.cpp
Msrc/input.cpp
Msrc/lammps.cpp
Msrc/lammps.h
Msrc/lattice.cpp
Msrc/modify.cpp
Msrc/molecule.cpp
Msrc/output.cpp
Msrc/pair.cpp
Psrc/pair_table.cpp
Copied to src/USER-DPD/pair_table_rx.cpp
Msrc/replicate.cpp
Msrc/set.cpp
Msrc/update.cpp
Msrc/version.h
Atest/.gitignore
Mtools/msi2lmp/frc_files/clayff.frc

rLAMMPSf876973bcccb

View Options

.gitignore

Loading...
View Options

bench/log.lj.serial-opt

Loading...
View Options

doc/html/Manual.html

Loading...
View Options

doc/html/Section_accelerate.html

Loading...
View Options

doc/html/Section_commands.html

Loading...
View Options

doc/html/Section_example.html

Loading...
View Options

doc/html/Section_howto.html

Loading...
View Options

doc/html/Section_packages.html

Loading...
View Options

doc/html/Section_perf.html

Loading...
View Options

doc/html/Section_start.html

Loading...
View Options

doc/html/_images/compute_dpd.jpg

Loading...
View Options

doc/html/_images/fix_ehex_eom.jpg

Loading...
View Options

doc/html/_images/fix_ehex_f.jpg

Loading...
View Options

doc/html/_images/fix_eos_table_rx.jpg

Loading...
View Options

doc/html/_images/fix_rx.jpg

Loading...
View Options

doc/html/_images/fix_rx_localTemp.jpg

Loading...
View Options

doc/html/_images/fix_rx_localTemp2.jpg

Loading...
View Options

doc/html/_images/fix_rx_reaction.jpg

Loading...
View Options

doc/html/_images/fix_rx_reactionRate.jpg

Loading...
View Options

doc/html/_images/pair_exp6_rx.jpg

Loading...
View Options

doc/html/_images/pair_exp6_rx_oneFluid.jpg

Loading...
View Options

doc/html/_images/pair_exp6_rx_oneFluid2.jpg

Loading...
View Options

doc/html/_images/pair_morse_soft.jpg

Loading...
View Options

doc/html/_images/pair_multi_lucy.jpg

Loading...
View Options

doc/html/_images/pair_multi_lucy2.jpg

Loading...
View Options

doc/html/_images/pair_multi_lucy_energy.jpg

Loading...
View Options

doc/html/_sources/Manual.txt

Loading...
View Options

doc/html/_sources/Section_accelerate.txt

Loading...
View Options

doc/html/_sources/Section_commands.txt

Loading...
View Options

doc/html/_sources/Section_example.txt

Loading...
View Options

doc/html/_sources/Section_intro.txt

Loading...
View Options

doc/html/_sources/Section_packages.txt

Loading...
View Options

doc/html/_sources/Section_perf.txt

Loading...
View Options

doc/html/_sources/Section_start.txt

Loading...
View Options

doc/html/_sources/accelerate_cuda.txt

Loading...
View Options

doc/html/_sources/accelerate_kokkos.txt

Loading...
View Options

doc/html/_sources/angle_charmm.txt

Loading...
View Options

doc/html/_sources/angle_class2.txt

Loading...
View Options

doc/html/_sources/angle_cosine.txt

Loading...
View Options

doc/html/_sources/angle_cosine_delta.txt

Loading...
View Options

doc/html/_sources/angle_cosine_periodic.txt

Loading...
View Options

doc/html/_sources/angle_cosine_shift.txt

Loading...
View Options

doc/html/_sources/angle_cosine_shift_exp.txt

Loading...
View Options

doc/html/_sources/angle_cosine_squared.txt

Loading...
View Options

doc/html/_sources/angle_dipole.txt

Loading...
View Options

doc/html/_sources/angle_fourier.txt

Loading...
View Options

doc/html/_sources/angle_fourier_simple.txt

Loading...
View Options

doc/html/_sources/angle_harmonic.txt

Loading...
View Options

doc/html/_sources/angle_quartic.txt

Loading...
View Options

doc/html/_sources/angle_table.txt

Loading...
View Options

doc/html/_sources/atom_style.txt

Loading...
View Options

doc/html/_sources/bond_class2.txt

Loading...
View Options

doc/html/_sources/bond_fene.txt

Loading...
View Options

doc/html/_sources/bond_fene_expand.txt

Loading...
View Options

doc/html/_sources/bond_harmonic.txt

Loading...
View Options

doc/html/_sources/bond_harmonic_shift.txt

Loading...
View Options

doc/html/_sources/bond_harmonic_shift_cut.txt

Loading...
View Options

doc/html/_sources/bond_morse.txt

Loading...
View Options

doc/html/_sources/bond_nonlinear.txt

Loading...
View Options

doc/html/_sources/bond_quartic.txt

Loading...
View Options

doc/html/_sources/bond_table.txt

Loading...
View Options

doc/html/_sources/bond_write.txt

Loading...
View Options

doc/html/_sources/change_box.txt

Loading...
View Options

doc/html/_sources/compute.txt

Loading...
View Options

doc/html/_sources/compute_dpd.txt

Loading...
View Options

doc/html/_sources/compute_dpd_atom.txt

Loading...
View Options

doc/html/_sources/compute_fep.txt

Loading...
View Options

doc/html/_sources/compute_pe.txt

Loading...
View Options

doc/html/_sources/compute_pressure.txt

Loading...
View Options

doc/html/_sources/compute_property_atom.txt

Loading...
View Options

doc/html/_sources/compute_temp.txt

Loading...
View Options

doc/html/_sources/compute_temp_deform.txt

Loading...
View Options

doc/html/_sources/compute_temp_partial.txt

Loading...
View Options

doc/html/_sources/compute_voronoi_atom.txt

Loading...
View Options

doc/html/_sources/dihedral_charmm.txt

Loading...
View Options

doc/html/_sources/dihedral_class2.txt

Loading...
View Options

doc/html/_sources/dihedral_cosine_shift_exp.txt

Loading...
View Options

doc/html/_sources/dihedral_fourier.txt

Loading...
View Options

doc/html/_sources/dihedral_harmonic.txt

Loading...
View Options

doc/html/_sources/dihedral_helix.txt

Loading...
View Options

doc/html/_sources/dihedral_multi_harmonic.txt

Loading...
View Options

doc/html/_sources/dihedral_nharmonic.txt

Loading...
View Options

doc/html/_sources/dihedral_opls.txt

Loading...
View Options

doc/html/_sources/dihedral_quadratic.txt

Loading...
View Options

doc/html/_sources/dihedral_table.txt

Loading...
View Options

doc/html/_sources/dump_image.txt

Loading...
View Options

doc/html/_sources/fix.txt

Loading...
View Options

doc/html/_sources/fix_addforce.txt

Loading...
View Options

doc/html/_sources/fix_ave_atom.txt

Loading...
View Options

doc/html/_sources/fix_ave_chunk.txt

Loading...
View Options

doc/html/_sources/fix_ave_correlate.txt

Loading...
View Options

doc/html/_sources/fix_ave_histo.txt

Loading...
View Options

doc/html/_sources/fix_ave_spatial.txt

Loading...
View Options

doc/html/_sources/fix_ave_spatial_sphere.txt

Loading...
View Options

doc/html/_sources/fix_ave_time.txt

Loading...
View Options

doc/html/_sources/fix_aveforce.txt

Loading...
View Options

doc/html/_sources/fix_deform.txt

Loading...
View Options

doc/html/_sources/fix_ehex.txt

Loading...
View Options

doc/html/_sources/fix_enforce2d.txt

Loading...
View Options

doc/html/_sources/fix_eos_cv.txt

Loading...
View Options

doc/html/_sources/fix_eos_table.txt

Loading...
View Options

doc/html/_sources/fix_eos_table_rx.txt

Loading...
View Options

doc/html/_sources/fix_freeze.txt

Loading...
View Options

doc/html/_sources/fix_gcmc.txt

Loading...
View Options

doc/html/_sources/fix_gle.txt

Loading...
View Options

doc/html/_sources/fix_gravity.txt

Loading...
View Options

doc/html/_sources/fix_langevin.txt

Loading...
View Options

doc/html/_sources/fix_lb_rigid_pc_sphere.txt

Loading...
View Options

doc/html/_sources/fix_nh.txt

Loading...
View Options

doc/html/_sources/fix_nph_asphere.txt

Loading...
View Options

doc/html/_sources/fix_nph_body.txt

Loading...
View Options

doc/html/_sources/fix_nph_sphere.txt

Loading...
View Options

doc/html/_sources/fix_nphug.txt

Loading...
View Options

doc/html/_sources/fix_npt_asphere.txt

Loading...
View Options

doc/html/_sources/fix_npt_body.txt

Loading...
View Options

doc/html/_sources/fix_npt_sphere.txt

Loading...
View Options

doc/html/_sources/fix_nve.txt

Loading...
View Options

doc/html/_sources/fix_nve_asphere.txt

Loading...
View Options

doc/html/_sources/fix_nve_sphere.txt

Loading...
View Options

doc/html/_sources/fix_nvt_asphere.txt

Loading...
View Options

doc/html/_sources/fix_nvt_body.txt

Loading...
View Options

doc/html/_sources/fix_nvt_sllod.txt

Loading...
View Options

doc/html/_sources/fix_nvt_sphere.txt

Loading...
View Options

doc/html/_sources/fix_qeq_comb.txt

Loading...
View Options

doc/html/_sources/fix_rigid.txt

Loading...
View Options

doc/html/_sources/fix_rx.txt

Loading...
View Options

doc/html/_sources/fix_setforce.txt

Loading...
View Options

doc/html/_sources/fix_shake.txt

Loading...
View Options

doc/html/_sources/fix_shardlow.txt

Loading...
View Options

doc/html/_sources/fix_temp_berendsen.txt

Loading...
View Options

doc/html/_sources/fix_temp_rescale.txt

Loading...
View Options

doc/html/_sources/fix_thermal_conductivity.txt

Loading...
View Options

doc/html/_sources/fix_viscosity.txt

Loading...
View Options

doc/html/_sources/fix_viscous.txt

Loading...
View Options

doc/html/_sources/fix_wall_reflect.txt

Loading...
View Options

doc/html/_sources/improper_class2.txt

Loading...
View Options

doc/html/_sources/improper_cossq.txt

Loading...
View Options

doc/html/_sources/improper_cvff.txt

Loading...
View Options

doc/html/_sources/improper_fourier.txt

Loading...
View Options

doc/html/_sources/improper_harmonic.txt

Loading...
View Options

doc/html/_sources/improper_ring.txt

Loading...
View Options

doc/html/_sources/improper_umbrella.txt

Loading...
View Options

doc/html/_sources/kspace_style.txt

Loading...
View Options

doc/html/_sources/package.txt

Loading...
View Options

doc/html/_sources/pair_adp.txt

Loading...
View Options

doc/html/_sources/pair_airebo.txt

Loading...
View Options

doc/html/_sources/pair_beck.txt

Loading...
View Options

doc/html/_sources/pair_born.txt

Loading...
View Options

doc/html/_sources/pair_brownian.txt

Loading...
View Options

doc/html/_sources/pair_buck.txt

Loading...
View Options

doc/html/_sources/pair_buck_long.txt

Loading...
View Options

doc/html/_sources/pair_charmm.txt

Loading...
View Options

doc/html/_sources/pair_class2.txt

Loading...
View Options

doc/html/_sources/pair_coeff.txt

Loading...
View Options

doc/html/_sources/pair_colloid.txt

Loading...
View Options

doc/html/_sources/pair_comb.txt

Loading...
View Options

doc/html/_sources/pair_coul.txt

Loading...
View Options

doc/html/_sources/pair_dipole.txt

Loading...
View Options

doc/html/_sources/pair_dpd.txt

Loading...
View Options

doc/html/_sources/pair_dpd_fdt.txt

Loading...
View Options

doc/html/_sources/pair_eam.txt

Loading...
View Options

doc/html/_sources/pair_edip.txt

Loading...
View Options

doc/html/_sources/pair_eim.txt

Loading...
View Options

doc/html/_sources/pair_exp6_rx.txt

Loading...
View Options

doc/html/_sources/pair_gauss.txt

Loading...
View Options

doc/html/_sources/pair_gayberne.txt

Loading...
View Options

doc/html/_sources/pair_gran.txt

Loading...
View Options

doc/html/_sources/pair_gromacs.txt

Loading...
View Options

doc/html/_sources/pair_hbond_dreiding.txt

Loading...
View Options

doc/html/_sources/pair_hybrid.txt

Loading...
View Options

doc/html/_sources/pair_lj.txt

Loading...
View Options

doc/html/_sources/pair_lj96.txt

Loading...
View Options

doc/html/_sources/pair_lj_cubic.txt

Loading...
View Options

doc/html/_sources/pair_lj_expand.txt

Loading...
View Options

doc/html/_sources/pair_lj_long.txt

Loading...
View Options

doc/html/_sources/pair_lj_sf.txt

Loading...
View Options

doc/html/_sources/pair_lj_smooth.txt

Loading...
View Options

doc/html/_sources/pair_lj_smooth_linear.txt

Loading...
View Options

doc/html/_sources/pair_lj_soft.txt

Loading...
View Options

doc/html/_sources/pair_lubricate.txt

Loading...
View Options

doc/html/_sources/pair_meam_spline.txt

Loading...
View Options

doc/html/_sources/pair_morse.txt

Loading...
View Options

doc/html/_sources/pair_multi_lucy.txt

Loading...
View Options

doc/html/_sources/pair_multi_lucy_rx.txt

Loading...
View Options

doc/html/_sources/pair_nb3b_harmonic.txt

Loading...
View Options

doc/html/_sources/pair_nm.txt

Loading...
View Options

doc/html/_sources/pair_peri.txt

Loading...
View Options

doc/html/_sources/pair_resquared.txt

Loading...
View Options

doc/html/_sources/pair_sdk.txt

Loading...
View Options

doc/html/_sources/pair_soft.txt

Loading...
View Options

doc/html/_sources/pair_sw.txt

Loading...
View Options

doc/html/_sources/pair_table.txt

Loading...
View Options

doc/html/_sources/pair_table_rx.txt

Loading...
View Options

doc/html/_sources/pair_tersoff.txt

Loading...
View Options

doc/html/_sources/pair_tersoff_mod.txt

Loading...
View Options

doc/html/_sources/pair_tersoff_zbl.txt

Loading...
View Options

doc/html/_sources/pair_thole.txt

Loading...
View Options

doc/html/_sources/pair_vashishta.txt

Loading...
View Options

doc/html/_sources/pair_yukawa.txt

Loading...
View Options

doc/html/_sources/pair_yukawa_colloid.txt

Loading...
View Options

doc/html/_sources/pair_zbl.txt

Loading...
View Options

doc/html/_sources/prd.txt

Loading...
View Options

doc/html/_sources/set.txt

Loading...
View Options

doc/html/_sources/suffix.txt

Loading...
View Options

doc/html/_sources/tad.txt

Loading...
View Options

doc/html/_sources/tutorial_drude.txt

Loading...
View Options

doc/html/_sources/tutorial_github.txt

Loading...
View Options

doc/html/_sources/variable.txt

Loading...
View Options

doc/html/_static/basic.css

Loading...
View Options

doc/html/_static/doctools.js

Loading...
View Options

doc/html/accelerate_cuda.html

Loading...
View Options

doc/html/accelerate_kokkos.html

Loading...
View Options

doc/html/angle_charmm.html

Loading...
View Options

doc/html/angle_class2.html

Loading...
View Options

doc/html/angle_cosine.html

Loading...
View Options

doc/html/angle_cosine_delta.html

Loading...
View Options

doc/html/angle_cosine_periodic.html

Loading...
View Options

doc/html/angle_cosine_shift.html

Loading...
View Options

doc/html/angle_cosine_shift_exp.html

Loading...
View Options

doc/html/angle_cosine_squared.html

Loading...
View Options

doc/html/angle_dipole.html

Loading...
View Options

doc/html/angle_fourier.html

Loading...
View Options

doc/html/angle_fourier_simple.html

Loading...
View Options

doc/html/angle_harmonic.html

Loading...
View Options

doc/html/angle_quartic.html

Loading...
View Options

doc/html/angle_table.html

Loading...
View Options

doc/html/atom_style.html

Loading...
View Options

doc/html/bond_class2.html

Loading...
View Options

doc/html/bond_fene.html

Loading...
View Options

doc/html/bond_fene_expand.html

Loading...
View Options

doc/html/bond_harmonic.html

Loading...
View Options

doc/html/bond_harmonic_shift.html

Loading...
View Options

doc/html/bond_harmonic_shift_cut.html

Loading...
View Options

doc/html/bond_morse.html

Loading...
View Options

doc/html/bond_nonlinear.html

Loading...
View Options

doc/html/bond_quartic.html

Loading...
View Options

doc/html/bond_table.html

Loading...
View Options

doc/html/change_box.html

Loading...
View Options

doc/html/compute.html

Loading...
View Options

doc/html/compute_dpd.html

Loading...
View Options

doc/html/compute_dpd_atom.html

Loading...
View Options

doc/html/compute_fep.html

Loading...
View Options

doc/html/compute_pe.html

Loading...
View Options

doc/html/compute_pressure.html

Loading...
View Options

doc/html/compute_property_atom.html

Loading...
View Options

doc/html/compute_temp.html

Loading...
View Options

doc/html/compute_temp_deform.html

Loading...
View Options

doc/html/compute_temp_partial.html

Loading...
View Options

doc/html/compute_voronoi_atom.html

Loading...
View Options

doc/html/dihedral_charmm.html

Loading...
View Options

doc/html/dihedral_class2.html

Loading...
View Options

doc/html/dihedral_cosine_shift_exp.html

Loading...
View Options

doc/html/dihedral_fourier.html

Loading...
View Options

doc/html/dihedral_harmonic.html

Loading...
View Options

doc/html/dihedral_helix.html

Loading...
View Options

doc/html/dihedral_multi_harmonic.html

Loading...
View Options

doc/html/dihedral_nharmonic.html

Loading...
View Options

doc/html/dihedral_opls.html

Loading...
View Options

doc/html/dihedral_quadratic.html

Loading...
View Options

doc/html/dihedral_table.html

Loading...
View Options

doc/html/fix.html

Loading...
View Options

doc/html/fix_addforce.html

Loading...
View Options

doc/html/fix_ave_atom.html

Loading...
View Options

doc/html/fix_ave_chunk.html

Loading...
View Options

doc/html/fix_ave_correlate.html

Loading...
View Options

doc/html/fix_ave_histo.html

Loading...
View Options

doc/html/fix_ave_spatial.html

Loading...
View Options

doc/html/fix_ave_spatial_sphere.html

Loading...
View Options

doc/html/fix_ave_time.html

Loading...
View Options

doc/html/fix_aveforce.html

Loading...
View Options

doc/html/fix_deform.html

Loading...
View Options

doc/html/fix_ehex.html

Loading...
View Options

doc/html/fix_enforce2d.html

Loading...
View Options

doc/html/fix_eos_cv.html

Loading...
View Options

doc/html/fix_eos_table.html

Loading...
View Options

doc/html/fix_eos_table_rx.html

Loading...
View Options

doc/html/fix_freeze.html

Loading...
View Options

doc/html/fix_gcmc.html

Loading...
View Options

doc/html/fix_gravity.html

Loading...
View Options

doc/html/fix_langevin.html

Loading...
View Options

doc/html/fix_lb_rigid_pc_sphere.html

Loading...
View Options

doc/html/fix_nh.html

Loading...
View Options

doc/html/fix_nph_asphere.html

Loading...
View Options

doc/html/fix_nph_body.html

Loading...
View Options

doc/html/fix_nph_sphere.html

Loading...
View Options

doc/html/fix_nphug.html

Loading...
View Options

doc/html/fix_npt_asphere.html

Loading...
View Options

doc/html/fix_npt_body.html

Loading...
View Options

doc/html/fix_npt_sphere.html

Loading...
View Options

doc/html/fix_nve.html

Loading...
View Options

doc/html/fix_nve_asphere.html

Loading...
View Options

doc/html/fix_nve_sphere.html

Loading...
View Options

doc/html/fix_nvt_asphere.html

Loading...
View Options

doc/html/fix_nvt_body.html

Loading...
View Options

doc/html/fix_nvt_sllod.html

Loading...
View Options

doc/html/fix_nvt_sphere.html

Loading...
View Options

doc/html/fix_qeq_comb.html

Loading...
View Options

doc/html/fix_rigid.html

Loading...
View Options

doc/html/fix_rx.html

Loading...
View Options

doc/html/fix_setforce.html

Loading...
View Options

doc/html/fix_shake.html

Loading...
View Options

doc/html/fix_shardlow.html

Loading...
View Options

doc/html/fix_temp_berendsen.html

Loading...
View Options

doc/html/fix_temp_rescale.html

Loading...
View Options

doc/html/fix_thermal_conductivity.html

Loading...
View Options

doc/html/fix_viscosity.html

Loading...
View Options

doc/html/fix_viscous.html

Loading...
View Options

doc/html/fix_wall_reflect.html

Loading...
View Options

doc/html/genindex.html

Loading...
View Options

doc/html/improper_class2.html

Loading...
View Options

doc/html/improper_cossq.html

Loading...
View Options

doc/html/improper_cvff.html

Loading...
View Options

doc/html/improper_fourier.html

Loading...
View Options

doc/html/improper_harmonic.html

Loading...
View Options

doc/html/improper_ring.html

Loading...
View Options

doc/html/improper_umbrella.html

Loading...
View Options

doc/html/kspace_style.html

Loading...
View Options

doc/html/package.html

Loading...
View Options

doc/html/pair_adp.html

Loading...
View Options

doc/html/pair_airebo.html

Loading...
View Options

doc/html/pair_beck.html

Loading...
View Options

doc/html/pair_born.html

Loading...
View Options

doc/html/pair_brownian.html

Loading...
View Options

doc/html/pair_buck.html

Loading...
View Options

doc/html/pair_buck_long.html

Loading...
View Options

doc/html/pair_charmm.html

Loading...
View Options

doc/html/pair_class2.html

Loading...
View Options

doc/html/pair_coeff.html

Loading...
View Options

doc/html/pair_colloid.html

Loading...
View Options

doc/html/pair_comb.html

Loading...
View Options

doc/html/pair_coul.html

Loading...
View Options

doc/html/pair_dipole.html

Loading...
View Options

doc/html/pair_dpd.html

Loading...
View Options

doc/html/pair_dpd_fdt.html

Loading...
View Options

doc/html/pair_eam.html

Loading...
View Options

doc/html/pair_edip.html

Loading...
View Options

doc/html/pair_eim.html

Loading...
View Options

doc/html/pair_exp6_rx.html

Loading...
View Options

doc/html/pair_gauss.html

Loading...
View Options

doc/html/pair_gayberne.html

Loading...
View Options

doc/html/pair_gran.html

Loading...
View Options

doc/html/pair_gromacs.html

Loading...
View Options

doc/html/pair_hbond_dreiding.html

Loading...
View Options

doc/html/pair_hybrid.html

Loading...
View Options

doc/html/pair_lj.html

Loading...
View Options

doc/html/pair_lj96.html

Loading...
View Options

doc/html/pair_lj_cubic.html

Loading...
View Options

doc/html/pair_lj_expand.html

Loading...
View Options

doc/html/pair_lj_long.html

Loading...
View Options

doc/html/pair_lj_sf.html

Loading...
View Options

doc/html/pair_lj_smooth.html

Loading...
View Options

doc/html/pair_lj_smooth_linear.html

Loading...
View Options

doc/html/pair_lj_soft.html

Loading...
View Options

doc/html/pair_lubricate.html

Loading...
View Options

doc/html/pair_meam_spline.html

Loading...
View Options

doc/html/pair_modify.html

Loading...
View Options

doc/html/pair_morse.html

Loading...
View Options

doc/html/pair_multi_lucy.html

Loading...
View Options

doc/html/pair_multi_lucy_rx.html

Loading...
View Options

doc/html/pair_nb3b_harmonic.html

Loading...
View Options

doc/html/pair_nm.html

Loading...
View Options

doc/html/pair_peri.html

Loading...
View Options

doc/html/pair_resquared.html

Loading...
View Options

doc/html/pair_sdk.html

Loading...
View Options

doc/html/pair_soft.html

Loading...
View Options

doc/html/pair_sw.html

Loading...
View Options

doc/html/pair_table.html

Loading...
View Options

doc/html/pair_table_rx.html

Loading...
View Options

doc/html/pair_tersoff.html

Loading...
View Options

doc/html/pair_tersoff_mod.html

Loading...
View Options

doc/html/pair_tersoff_zbl.html

Loading...
View Options

doc/html/pair_thole.html

Loading...
View Options

doc/html/pair_vashishta.html

Loading...
View Options

doc/html/pair_yukawa.html

Loading...
View Options

doc/html/pair_yukawa_colloid.html

Loading...
View Options

doc/html/pair_zbl.html

Loading...
View Options

doc/html/prd.html

Loading...
View Options

doc/html/searchindex.js

Loading...
View Options

doc/html/set.html

Loading...
View Options

doc/html/suffix.html

Loading...
View Options

doc/html/tad.html

Loading...
View Options

doc/html/tutorial_drude.html

Loading...
View Options

doc/html/tutorial_github.html

Loading...
View Options

doc/html/variable.html

Loading...
View Options

doc/lammps.book

Loading...
View Options

doc/src/Eqs/compute_dpd.jpg

Loading...
View Options

doc/src/Eqs/compute_dpd.tex

Loading...
View Options

doc/src/Eqs/fix_ehex_eom.jpg

Loading...
View Options

doc/src/Eqs/fix_ehex_eom.tex

Loading...
View Options

doc/src/Eqs/fix_ehex_f.jpg

Loading...
View Options

doc/src/Eqs/fix_ehex_f.tex

Loading...
View Options

doc/src/Eqs/fix_eos_table_rx.jpg

Loading...
View Options

doc/src/Eqs/fix_eos_table_rx.tex

Loading...
View Options

doc/src/Eqs/fix_rx.jpg

Loading...
View Options

doc/src/Eqs/fix_rx.tex

Loading...
View Options

doc/src/Eqs/fix_rx_localTemp.jpg

Loading...
View Options

doc/src/Eqs/fix_rx_localTemp.tex

Loading...
View Options

doc/src/Eqs/fix_rx_localTemp2.jpg

Loading...
View Options

doc/src/Eqs/fix_rx_localTemp2.tex

Loading...
View Options

doc/src/Eqs/fix_rx_reaction.jpg

Loading...
View Options

doc/src/Eqs/fix_rx_reaction.tex

Loading...
View Options

doc/src/Eqs/fix_rx_reactionRate.jpg

Loading...
View Options

doc/src/Eqs/fix_rx_reactionRate.tex

Loading...
View Options

doc/src/Eqs/pair_exp6_rx.jpg

Loading...
View Options

doc/src/Eqs/pair_exp6_rx.tex

Loading...
View Options

doc/src/Eqs/pair_exp6_rx_oneFluid.jpg

Loading...
View Options

doc/src/Eqs/pair_exp6_rx_oneFluid.tex

Loading...
View Options

doc/src/Eqs/pair_exp6_rx_oneFluid2.jpg

Loading...
View Options

doc/src/Eqs/pair_exp6_rx_oneFluid2.tex

Loading...
View Options

doc/src/Eqs/pair_morse_soft.jpg

Loading...
View Options

doc/src/Eqs/pair_multi_lucy.jpg

Loading...
View Options

doc/src/Eqs/pair_multi_lucy2.jpg

Loading...
View Options

doc/src/Eqs/pair_multi_lucy_energy.jpg

Loading...
View Options

doc/src/Manual.txt

Loading...
View Options

doc/src/PDF/colvars-refman-lammps.pdf

Loading...
View Options

doc/src/Section_accelerate.txt

Loading...
View Options

doc/src/Section_commands.txt

Loading...
View Options

doc/src/Section_example.txt

Loading...
View Options

doc/src/Section_packages.txt

Loading...
View Options

doc/src/Section_start.txt

Loading...
View Options

doc/src/accelerate_cuda.txt

Loading...
View Options

doc/src/accelerate_gpu.txt

Loading...
View Options

doc/src/accelerate_intel.txt

Loading...
View Options

doc/src/accelerate_kokkos.txt

Loading...
View Options

doc/src/accelerate_omp.txt

Loading...
View Options

doc/src/accelerate_opt.txt

Loading...
View Options

doc/src/angle_charmm.txt

Loading...
View Options

doc/src/angle_class2.txt

Loading...
View Options

doc/src/angle_cosine.txt

Loading...
View Options

doc/src/angle_cosine_delta.txt

Loading...
View Options

doc/src/angle_cosine_periodic.txt

Loading...
View Options

doc/src/angle_cosine_shift.txt

Loading...
View Options

doc/src/angle_cosine_shift_exp.txt

Loading...
View Options

doc/src/angle_cosine_squared.txt

Loading...
View Options

doc/src/angle_dipole.txt

Loading...
View Options

doc/src/angle_fourier.txt

Loading...
View Options

doc/src/angle_fourier_simple.txt

Loading...
View Options

doc/src/angle_harmonic.txt

Loading...
View Options

doc/src/angle_quartic.txt

Loading...
View Options

doc/src/angle_table.txt

Loading...
View Options

doc/src/atom_style.txt

Loading...
View Options

doc/src/bond_class2.txt

Loading...
View Options

doc/src/bond_fene.txt

Loading...
View Options

doc/src/bond_fene_expand.txt

Loading...
View Options

doc/src/bond_harmonic.txt

Loading...
View Options

doc/src/bond_harmonic_shift.txt

Loading...
View Options

doc/src/bond_harmonic_shift_cut.txt

Loading...
View Options

doc/src/bond_morse.txt

Loading...
View Options

doc/src/bond_nonlinear.txt

Loading...
View Options

doc/src/bond_quartic.txt

Loading...
View Options

doc/src/bond_table.txt

Loading...
View Options

doc/src/change_box.txt

Loading...
View Options

doc/src/compute.txt

Loading...
View Options

doc/src/compute_dpd.txt

Loading...
View Options

doc/src/compute_dpd_atom.txt

Loading...
View Options

doc/src/compute_fep.txt

Loading...
View Options

doc/src/compute_pe.txt

Loading...
View Options

doc/src/compute_pressure.txt

Loading...
View Options

doc/src/compute_property_atom.txt

Loading...
View Options

doc/src/compute_temp.txt

Loading...
View Options

doc/src/compute_temp_deform.txt

Loading...
View Options

doc/src/compute_temp_partial.txt

Loading...
View Options

doc/src/dihedral_charmm.txt

Loading...
View Options

doc/src/dihedral_class2.txt

Loading...
View Options

doc/src/dihedral_cosine_shift_exp.txt

Loading...
View Options

doc/src/dihedral_fourier.txt

Loading...
View Options

doc/src/dihedral_harmonic.txt

Loading...
View Options

doc/src/dihedral_helix.txt

Loading...
View Options

doc/src/dihedral_multi_harmonic.txt

Loading...
View Options

doc/src/dihedral_nharmonic.txt

Loading...
View Options

doc/src/dihedral_opls.txt

Loading...
View Options

doc/src/dihedral_quadratic.txt

Loading...
View Options

doc/src/dihedral_table.txt

Loading...
View Options

doc/src/fix.txt

Loading...
View Options

doc/src/fix_addforce.txt

Loading...
View Options

doc/src/fix_ave_atom.txt

Loading...
View Options

doc/src/fix_ave_chunk.txt

Loading...
View Options

doc/src/fix_ave_correlate.txt

Loading...
View Options

doc/src/fix_ave_histo.txt

Loading...
View Options

doc/src/fix_ave_spatial.txt

Loading...
View Options

doc/src/fix_ave_spatial_sphere.txt

Loading...
View Options

doc/src/fix_ave_time.txt

Loading...
View Options

doc/src/fix_aveforce.txt

Loading...
View Options

doc/src/fix_deform.txt

Loading...
View Options

doc/src/fix_ehex.txt

Loading...
View Options

doc/src/fix_enforce2d.txt

Loading...
View Options

doc/src/fix_eos_cv.txt

Loading...
View Options

doc/src/fix_eos_table.txt

Loading...
View Options

doc/src/fix_eos_table_rx.txt

Loading...
View Options

doc/src/fix_freeze.txt

Loading...
View Options

doc/src/fix_gravity.txt

Loading...
View Options

doc/src/fix_langevin.txt

Loading...
View Options

doc/src/fix_lb_rigid_pc_sphere.txt

Loading...
View Options

doc/src/fix_nh.txt

Loading...
View Options

doc/src/fix_nph_asphere.txt

Loading...
View Options

doc/src/fix_nph_body.txt

Loading...
View Options

doc/src/fix_nph_sphere.txt

Loading...
View Options

doc/src/fix_nphug.txt

Loading...
View Options

doc/src/fix_npt_asphere.txt

Loading...
View Options

doc/src/fix_npt_body.txt

Loading...
View Options

doc/src/fix_npt_sphere.txt

Loading...
View Options

doc/src/fix_nve.txt

Loading...
View Options

doc/src/fix_nve_asphere.txt

Loading...
View Options

doc/src/fix_nve_sphere.txt

Loading...
View Options

doc/src/fix_nvt_asphere.txt

Loading...
View Options

doc/src/fix_nvt_body.txt

Loading...
View Options

doc/src/fix_nvt_sllod.txt

Loading...
View Options

doc/src/fix_nvt_sphere.txt

Loading...
View Options

doc/src/fix_qeq_comb.txt

Loading...
View Options

doc/src/fix_rigid.txt

Loading...
View Options

doc/src/fix_rx.txt

Loading...
View Options

doc/src/fix_setforce.txt

Loading...
View Options

doc/src/fix_shake.txt

Loading...
View Options

doc/src/fix_shardlow.txt

Loading...
View Options

doc/src/fix_temp_berendsen.txt

Loading...
View Options

doc/src/fix_temp_rescale.txt

Loading...
View Options

doc/src/fix_thermal_conductivity.txt

Loading...
View Options

doc/src/fix_viscosity.txt

Loading...
View Options

doc/src/fix_viscous.txt

Loading...
View Options

doc/src/fix_wall_reflect.txt

Loading...
View Options

doc/src/improper_class2.txt

Loading...
View Options

doc/src/improper_cossq.txt

Loading...
View Options

doc/src/improper_cvff.txt

Loading...
View Options

doc/src/improper_fourier.txt

Loading...
View Options

doc/src/improper_harmonic.txt

Loading...
View Options

doc/src/improper_ring.txt

Loading...
View Options

doc/src/improper_umbrella.txt

Loading...
View Options

doc/src/kspace_style.txt

Loading...
View Options

doc/src/package.txt

Loading...
View Options

doc/src/pair_adp.txt

Loading...
View Options

doc/src/pair_airebo.txt

Loading...
View Options

doc/src/pair_beck.txt

Loading...
View Options

doc/src/pair_born.txt

Loading...
View Options

doc/src/pair_brownian.txt

Loading...
View Options

doc/src/pair_buck.txt

Loading...
View Options

doc/src/pair_buck_long.txt

Loading...
View Options

doc/src/pair_charmm.txt

Loading...
View Options

doc/src/pair_class2.txt

Loading...
View Options

doc/src/pair_coeff.txt

Loading...
View Options

doc/src/pair_colloid.txt

Loading...
View Options

doc/src/pair_comb.txt

Loading...
View Options

doc/src/pair_coul.txt

Loading...
View Options

doc/src/pair_dipole.txt

Loading...
View Options

doc/src/pair_dpd.txt

Loading...
View Options

doc/src/pair_dpd_fdt.txt

Loading...
View Options

doc/src/pair_eam.txt

Loading...
View Options

doc/src/pair_edip.txt

Loading...
View Options

doc/src/pair_eim.txt

Loading...
View Options

doc/src/pair_exp6_rx.txt

Loading...
View Options

doc/src/pair_gauss.txt

Loading...
View Options

doc/src/pair_gayberne.txt

Loading...
View Options

doc/src/pair_gran.txt

Loading...
View Options

doc/src/pair_gromacs.txt

Loading...
View Options

doc/src/pair_hbond_dreiding.txt

Loading...
View Options

doc/src/pair_hybrid.txt

Loading...
View Options

doc/src/pair_lj.txt

Loading...
View Options

doc/src/pair_lj96.txt

Loading...
View Options

doc/src/pair_lj_cubic.txt

Loading...
View Options

doc/src/pair_lj_expand.txt

Loading...
View Options

doc/src/pair_lj_long.txt

Loading...
View Options

doc/src/pair_lj_sf.txt

Loading...
View Options

doc/src/pair_lj_smooth.txt

Loading...
View Options

doc/src/pair_lj_smooth_linear.txt

Loading...
View Options

doc/src/pair_lj_soft.txt

Loading...
View Options

doc/src/pair_lubricate.txt

Loading...
View Options

doc/src/pair_meam_spline.txt

Loading...
View Options

doc/src/pair_morse.txt

Loading...
View Options

doc/src/pair_multi_lucy.txt

Loading...
View Options

doc/src/pair_multi_lucy_rx.txt

Loading...
View Options

doc/src/pair_nb3b_harmonic.txt

Loading...
View Options

doc/src/pair_nm.txt

Loading...
View Options

doc/src/pair_peri.txt

Loading...
View Options

doc/src/pair_resquared.txt

Loading...
View Options

doc/src/pair_sdk.txt

Loading...
View Options

doc/src/pair_soft.txt

Loading...
View Options

doc/src/pair_sw.txt

Loading...
View Options

doc/src/pair_table.txt

Loading...
View Options

doc/src/pair_table_rx.txt

Loading...
View Options

doc/src/pair_tersoff.txt

Loading...
View Options

doc/src/pair_tersoff_mod.txt

Loading...
View Options

doc/src/pair_tersoff_zbl.txt

Loading...
View Options

doc/src/pair_thole.txt

Loading...
View Options

doc/src/pair_vashishta.txt

Loading...
View Options

doc/src/pair_yukawa.txt

Loading...
View Options

doc/src/pair_yukawa_colloid.txt

Loading...
View Options

doc/src/pair_zbl.txt

Loading...
View Options

doc/src/prd.txt

Loading...
View Options

doc/src/set.txt

Loading...
View Options

doc/src/suffix.txt

Loading...
View Options

doc/src/tad.txt

Loading...
View Options

doc/src/tutorial_drude.txt

Loading...
View Options

doc/src/variable.txt

Loading...
View Options

doc/utils/converters/lammpsdoc/txt2html.py

Loading...
View Options

doc/utils/converters/lammpsdoc/txt2rst.py

Loading...
View Options

doc/utils/converters/tests/test_txt2rst.py

Loading...
View Options

doc/utils/sphinx-config/_themes/lammps_theme/static/css/badge_only.css.map

Loading...
View Options

doc/utils/sphinx-config/_themes/lammps_theme/static/css/theme.css.map

Loading...
View Options

examples/HEAT/README

Loading...
View Options

examples/KAPPA/README

Loading...
View Options

examples/KAPPA/in.ehex

Loading...
View Options

examples/KAPPA/in.heat

Loading...
View Options

examples/KAPPA/in.langevin

Loading...
View Options

examples/KAPPA/in.mp

Loading...
View Options

examples/KAPPA/log.ehex.7Jun16

Loading...
View Options

examples/KAPPA/log.heat.1Feb14

Loading...
View Options

examples/KAPPA/log.heat.7Jun16

Loading...
View Options

examples/KAPPA/profile.ehex.7Jun16

Loading...
View Options

examples/KAPPA/profile.heat.1Feb14

Loading...
View Options

examples/KAPPA/profile.heat.7Jun16

Loading...
View Options

examples/README

Loading...
View Options

examples/USER/dpd/README

Loading...
View Options

examples/USER/dpd/dpdrx-shardlow/in.dpdrx

Loading...
View Options

examples/USER/dpd/dpdrx-shardlow/kinetics.dpdrx

Loading...
View Options

examples/USER/dpd/dpdrx-shardlow/params.exp6

Loading...
View Options

examples/USER/dpd/dpdrx-shardlow/table.eos

Loading...
View Options

examples/USER/dpd/dpdrx-shardlow/thermo.dpdrx

Loading...
View Options

examples/USER/dpd/dpdrx-shardlow/thermo.dpdrx.new

Loading...
View Options

examples/VISCOSITY/in.mp.2d

Loading...
View Options

examples/VISCOSITY/in.nemd.2d

Loading...
View Options

examples/VISCOSITY/in.wall.2d

Loading...
View Options

lib/colvars/colvar.cpp

Loading...
View Options

lib/colvars/colvar.h

Loading...
View Options

lib/colvars/colvardeps.cpp

Loading...
View Options

lib/colvars/colvarmodule.cpp

Loading...
View Options

lib/colvars/colvarmodule.h

Loading...
View Options

lib/cuda/Makefile.common

Loading...
View Options

lib/cuda/Makefile.cudalib

Loading...
View Options

lib/cuda/Makefile.defaults

Loading...
View Options

lib/qmmm/Makefile.gfortran

Loading...
View Options

lib/qmmm/pwqmmm.c

Loading...
View Options

lib/voronoi/Makefile.32-bit

Loading...
View Options

lib/voronoi/Makefile.g++

Loading...
View Options

lib/voronoi/Makefile.mingw32-cross

Loading...
View Options

lib/voronoi/Makefile.mingw64-cross

Loading...
View Options

python/lammps.py

Loading...
View Options

src/.gitignore

Loading...
View Options

src/ASPHERE/fix_nph_asphere.cpp

Loading...
View Options

src/ASPHERE/fix_npt_asphere.cpp

Loading...
View Options

src/ASPHERE/fix_nvt_asphere.cpp

Loading...
View Options

src/BODY/fix_nph_body.cpp

Loading...
View Options

src/BODY/fix_npt_body.cpp

Loading...
View Options

src/BODY/fix_nvt_body.cpp

Loading...
View Options

src/Depend.sh

Loading...
View Options

src/GPU/fix_gpu.cpp

Loading...
View Options

src/KOKKOS/fix_nph_kokkos.cpp

Loading...
View Options

src/KOKKOS/fix_npt_kokkos.cpp

Loading...
View Options

src/KOKKOS/fix_nvt_kokkos.cpp

Loading...
View Options

src/MANYBODY/pair_vashishta.cpp

Loading...
View Options

src/MC/fix_tfmc.cpp

Loading...
View Options

src/Makefile

Loading...
View Options

src/Purge.list

Loading...
View Options

src/RIGID/fix_ehex.cpp

Loading...
View Options

src/RIGID/fix_ehex.h

Loading...
View Options

src/RIGID/fix_rattle.cpp

Loading...
View Options

src/RIGID/fix_rattle.h

Loading...
View Options

src/RIGID/fix_rigid_nh.cpp

Loading...
View Options

src/RIGID/fix_rigid_nh.h

Loading...
View Options

src/RIGID/fix_rigid_nh_small.cpp

Loading...
View Options

src/RIGID/fix_rigid_nh_small.h

Loading...
View Options

src/RIGID/fix_shake.cpp

Loading...
View Options

src/RIGID/fix_shake.h

Loading...
View Options

src/SHOCK/fix_nphug.cpp

Loading...
View Options

src/USER-CUDA

Loading...
View Options

src/USER-CUDA/Install.sh

Loading...
View Options

src/USER-CUDA/README

Loading...
View Options

src/USER-CUDA/atom_vec_angle_cuda.cpp

Loading...
View Options

src/USER-CUDA/atom_vec_angle_cuda.h

Loading...
View Options

src/USER-CUDA/atom_vec_atomic_cuda.cpp

Loading...
View Options

src/USER-CUDA/atom_vec_atomic_cuda.h

Loading...
View Options

src/USER-CUDA/atom_vec_charge_cuda.cpp

Loading...
View Options

src/USER-CUDA/atom_vec_charge_cuda.h

Loading...
View Options

src/USER-CUDA/atom_vec_full_cuda.cpp

Loading...
View Options

src/USER-CUDA/atom_vec_full_cuda.h

Loading...
View Options

src/USER-CUDA/comm_cuda.cpp

Loading...
View Options

src/USER-CUDA/comm_cuda.h

Loading...
View Options

src/USER-CUDA/compute_pe_cuda.cpp

Loading...
View Options

src/USER-CUDA/compute_pe_cuda.h

Loading...
View Options

src/USER-CUDA/compute_pressure_cuda.cpp

Loading...
View Options

src/USER-CUDA/compute_pressure_cuda.h

Loading...
View Options

src/USER-CUDA/compute_temp_cuda.cpp

Loading...
View Options

src/USER-CUDA/compute_temp_cuda.h

Loading...
View Options

src/USER-CUDA/compute_temp_partial_cuda.cpp

Loading...
View Options

src/USER-CUDA/compute_temp_partial_cuda.h

Loading...
View Options

src/USER-CUDA/cuda.cpp

Loading...
View Options

src/USER-CUDA/cuda_data.h

Loading...
View Options

src/USER-CUDA/cuda_modify_flags.h

Loading...
View Options

src/USER-CUDA/cuda_neigh_list.cpp

Loading...
View Options

src/USER-CUDA/cuda_neigh_list.h

Loading...
View Options

src/USER-CUDA/domain_cuda.cpp

Loading...
View Options

src/USER-CUDA/domain_cuda.h

Loading...
View Options

src/USER-CUDA/fft3d_cuda.cpp

Loading...
View Options

src/USER-CUDA/fft3d_cuda.h

Loading...
View Options

src/USER-CUDA/fft3d_wrap_cuda.cpp

Loading...
View Options

src/USER-CUDA/fft3d_wrap_cuda.h

Loading...
View Options

src/USER-CUDA/fix_addforce_cuda.cpp

Loading...
View Options

src/USER-CUDA/fix_addforce_cuda.h

Loading...
View Options

src/USER-CUDA/fix_aveforce_cuda.cpp

Loading...
View Options

src/USER-CUDA/fix_aveforce_cuda.h

Loading...
View Options

src/USER-CUDA/fix_enforce2d_cuda.cpp

Loading...
View Options

src/USER-CUDA/fix_enforce2d_cuda.h

Loading...
View Options

src/USER-CUDA/fix_freeze_cuda.cpp

Loading...
View Options

src/USER-CUDA/fix_freeze_cuda.h

Loading...
View Options

src/USER-CUDA/fix_gravity_cuda.cpp

Loading...
View Options

src/USER-CUDA/fix_gravity_cuda.h

Loading...
View Options

src/USER-CUDA/fix_nh_cuda.cpp

Loading...
View Options

src/USER-CUDA/fix_nh_cuda.h

Loading...
View Options

src/USER-CUDA/fix_npt_cuda.cpp

Loading...
View Options

src/USER-CUDA/fix_npt_cuda.h

Loading...
View Options

src/USER-CUDA/fix_nve_cuda.cpp

Loading...
View Options

src/USER-CUDA/fix_nve_cuda.h

Loading...
View Options

src/USER-CUDA/fix_nvt_cuda.cpp

Loading...
View Options

src/USER-CUDA/fix_nvt_cuda.h

Loading...
View Options

src/USER-CUDA/fix_set_force_cuda.cpp

Loading...
View Options

src/USER-CUDA/fix_set_force_cuda.h

Loading...
View Options

src/USER-CUDA/fix_shake_cuda.cpp

Loading...
View Options

src/USER-CUDA/fix_shake_cuda.h

Loading...
View Options

src/USER-CUDA/fix_temp_berendsen_cuda.cpp

Loading...
View Options

src/USER-CUDA/fix_temp_berendsen_cuda.h

Loading...
View Options

src/USER-CUDA/fix_temp_rescale_cuda.cpp

Loading...
View Options

src/USER-CUDA/fix_temp_rescale_cuda.h

Loading...
View Options

src/USER-CUDA/fix_temp_rescale_limit_cuda.cpp

Loading...
View Options

src/USER-CUDA/fix_temp_rescale_limit_cuda.h

Loading...
View Options

src/USER-CUDA/fix_viscous_cuda.cpp

Loading...
View Options

src/USER-CUDA/fix_viscous_cuda.h

Loading...
View Options

src/USER-CUDA/modify_cuda.cpp

Loading...
View Options

src/USER-CUDA/modify_cuda.h

Loading...
View Options

src/USER-CUDA/neigh_full_cuda.cpp

Loading...
View Options

src/USER-CUDA/neighbor_cuda.cpp

Loading...
View Options

src/USER-CUDA/neighbor_cuda.h

Loading...
View Options

src/USER-CUDA/pair_born_coul_long_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_born_coul_long_cuda.h

Loading...
View Options

src/USER-CUDA/pair_buck_coul_cut_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_buck_coul_cut_cuda.h

Loading...
View Options

src/USER-CUDA/pair_buck_coul_long_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_buck_coul_long_cuda.h

Loading...
View Options

src/USER-CUDA/pair_buck_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_buck_cuda.h

Loading...
View Options

src/USER-CUDA/pair_eam_alloy_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_eam_alloy_cuda.h

Loading...
View Options

src/USER-CUDA/pair_eam_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_eam_cuda.h

Loading...
View Options

src/USER-CUDA/pair_eam_fs_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_eam_fs_cuda.h

Loading...
View Options

src/USER-CUDA/pair_gran_hooke_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_gran_hooke_cuda.h

Loading...
View Options

src/USER-CUDA/pair_lj96_cut_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_lj96_cut_cuda.h

Loading...
View Options

src/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.h

Loading...
View Options

src/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.h

Loading...
View Options

src/USER-CUDA/pair_lj_charmm_coul_long_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_lj_charmm_coul_long_cuda.h

Loading...
View Options

src/USER-CUDA/pair_lj_class2_coul_cut_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_lj_class2_coul_cut_cuda.h

Loading...
View Options

src/USER-CUDA/pair_lj_class2_coul_long_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_lj_class2_coul_long_cuda.h

Loading...
View Options

src/USER-CUDA/pair_lj_class2_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_lj_class2_cuda.h

Loading...
View Options

src/USER-CUDA/pair_lj_cut_coul_cut_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_lj_cut_coul_cut_cuda.h

Loading...
View Options

src/USER-CUDA/pair_lj_cut_coul_debye_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_lj_cut_coul_debye_cuda.h

Loading...
View Options

src/USER-CUDA/pair_lj_cut_coul_long_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_lj_cut_coul_long_cuda.h

Loading...
View Options

src/USER-CUDA/pair_lj_cut_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_lj_cut_cuda.h

Loading...
View Options

src/USER-CUDA/pair_lj_cut_experimental_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_lj_cut_experimental_cuda.h

Loading...
View Options

src/USER-CUDA/pair_lj_expand_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_lj_expand_cuda.h

Loading...
View Options

src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.h

Loading...
View Options

src/USER-CUDA/pair_lj_gromacs_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_lj_gromacs_cuda.h

Loading...
View Options

src/USER-CUDA/pair_lj_sdk_coul_long_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_lj_sdk_coul_long_cuda.h

Loading...
View Options

src/USER-CUDA/pair_lj_sdk_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_lj_sdk_cuda.h

Loading...
View Options

src/USER-CUDA/pair_lj_smooth_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_lj_smooth_cuda.h

Loading...
View Options

src/USER-CUDA/pair_morse_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_morse_cuda.h

Loading...
View Options

src/USER-CUDA/pair_sw_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_sw_cuda.h

Loading...
View Options

src/USER-CUDA/pair_tersoff_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_tersoff_cuda.h

Loading...
View Options

src/USER-CUDA/pair_tersoff_zbl_cuda.cpp

Loading...
View Options

src/USER-CUDA/pair_tersoff_zbl_cuda.h

Loading...
View Options

src/USER-CUDA/pppm_cuda.cpp

Loading...
View Options

src/USER-CUDA/pppm_cuda.h

Loading...
View Options

src/USER-CUDA/pppm_old.cpp

Loading...
View Options

src/USER-CUDA/pppm_old.h

Loading...
View Options

src/USER-CUDA/user_cuda.h

Loading...
View Options

src/USER-CUDA/verlet_cuda.cpp

Loading...
View Options

src/USER-CUDA/verlet_cuda.h

Loading...
View Options

src/USER-DPD/atom_vec_dpd.cpp

Loading...
View Options

src/USER-DPD/atom_vec_dpd.h

Loading...
View Options

src/USER-DPD/compute_dpd.cpp

Loading...
View Options

src/USER-DPD/compute_dpd_atom.cpp

Loading...
View Options

src/USER-DPD/fix_eos_table.cpp

Loading...
View Options

src/USER-DPD/fix_eos_table_rx.cpp

Loading...
View Options

src/USER-DPD/fix_eos_table_rx.h

Loading...
View Options

src/USER-DPD/fix_rx.cpp

Loading...
View Options

src/USER-DPD/fix_rx.h

Loading...
View Options

src/USER-DPD/pair_exp6_rx.cpp

Loading...
View Options

src/USER-DPD/pair_exp6_rx.h

Loading...
View Options

src/USER-DPD/pair_multi_lucy.cpp

Loading...
View Options

src/USER-DPD/pair_multi_lucy_rx.cpp

Loading...
View Options

src/USER-DPD/pair_multi_lucy_rx.h

Loading...
View Options

src/USER-DPD/pair_table_rx.cpp

Loading...
View Options

src/USER-DPD/pair_table_rx.h

Loading...
View Options

src/USER-EFF/fix_nph_eff.cpp

Loading...
View Options

src/USER-EFF/fix_npt_eff.cpp

Loading...
View Options

src/USER-EFF/fix_nvt_eff.cpp

Loading...
View Options

src/USER-EFF/fix_nvt_sllod_eff.cpp

Loading...
View Options

src/USER-INTEL/fix_npt_intel.cpp

Loading...
View Options

src/USER-INTEL/fix_nvt_intel.cpp

Loading...
View Options

src/USER-INTEL/fix_nvt_sllod_intel.cpp

Loading...
View Options

src/USER-MISC/README

Loading...
View Options

src/USER-MISC/fix_ave_spatial_sphere.cpp

Loading...
View Options

src/USER-MISC/fix_ave_spatial_sphere.h

Loading...
View Options

src/USER-OMP/fix_nph_asphere_omp.cpp

Loading...
View Options

src/USER-OMP/fix_nph_omp.cpp

Loading...
View Options

src/USER-OMP/fix_nph_sphere_omp.cpp

Loading...
View Options

src/USER-OMP/fix_nphug_omp.cpp

Loading...
View Options

src/USER-OMP/fix_npt_asphere_omp.cpp

Loading...
View Options

src/USER-OMP/fix_npt_omp.cpp

Loading...
View Options

src/USER-OMP/fix_npt_sphere_omp.cpp

Loading...
View Options

src/USER-OMP/fix_nvt_asphere_omp.cpp

Loading...
View Options

src/USER-OMP/fix_nvt_omp.cpp

Loading...
View Options

src/USER-OMP/fix_nvt_sllod_omp.cpp

Loading...
View Options

src/USER-OMP/fix_nvt_sphere_omp.cpp

Loading...
View Options

src/USER-OMP/fix_omp.cpp

Loading...
View Options

src/USER-REAXC/pair_reax_c.cpp

Loading...
View Options

src/USER-TALLY/compute_force_tally.cpp

Loading...
View Options

src/USER-TALLY/compute_pe_tally.cpp

Loading...
View Options

src/USER-TALLY/compute_stress_tally.cpp

Loading...
View Options

src/accelerator_cuda.h

Loading...
View Options

src/atom.cpp

Loading...
View Options

src/atom_vec.cpp

Loading...
View Options

src/atom_vec.h

Loading...
View Options

src/balance.cpp

Loading...
View Options

src/comm.cpp

Loading...
View Options

src/comm_tiled.cpp

Loading...
View Options

src/compute_angmom_chunk.cpp

Loading...
View Options

src/compute_dipole_chunk.cpp

Loading...
View Options

src/compute_gyration.cpp

Loading...
View Options

src/compute_gyration_chunk.cpp

Loading...
View Options

src/compute_inertia_chunk.cpp

Loading...
View Options

src/compute_msd_chunk.cpp

Loading...
View Options

src/compute_omega_chunk.cpp

Loading...
View Options

src/compute_temp_chunk.cpp

Loading...
View Options

src/compute_torque_chunk.cpp

Loading...
View Options

src/compute_vcm_chunk.cpp

Loading...
View Options

src/fix_ave_spatial.cpp

Loading...
View Options

src/fix_ave_spatial.h

Loading...
View Options

src/fix_deprecated.cpp

Loading...
View Options

src/fix_deprecated.h

Loading...
View Options

src/fix_heat.cpp

Loading...
View Options

src/fix_momentum.cpp

Loading...
View Options

src/fix_nh.cpp

Loading...
View Options

src/fix_nh.h

Loading...
View Options

src/fix_nph.cpp

Loading...
View Options

src/fix_nph_sphere.cpp

Loading...
View Options

src/fix_npt.cpp

Loading...
View Options

src/fix_npt_sphere.cpp

Loading...
View Options

src/fix_nvt.cpp

Loading...
View Options

src/fix_nvt_sllod.cpp

Loading...
View Options

src/fix_nvt_sphere.cpp

Loading...
View Options

src/fix_recenter.cpp

Loading...
View Options

src/fix_spring.cpp

Loading...
View Options

src/fix_spring_rg.cpp

Loading...
View Options

src/fix_tmd.cpp

Loading...
View Options

src/info.cpp

Loading...
View Options

src/input.cpp

Loading...
View Options

src/lammps.cpp

Loading...
View Options

src/lammps.h

Loading...
View Options

src/lattice.cpp

Loading...
View Options

src/modify.cpp

Loading...
View Options

src/molecule.cpp

Loading...
View Options

src/output.cpp

Loading...
View Options

src/pair.cpp

Loading...
View Options

src/pair_table.cpp

Loading...
View Options

src/replicate.cpp

Loading...
View Options

src/set.cpp

Loading...
View Options

src/update.cpp

Loading...
View Options

src/version.h

Loading...
View Options

test/.gitignore

Loading...
View Options

tools/msi2lmp/frc_files/clayff.frc

Loading...
c4science · Help