Diffusion lammps 9bdacec22fa6

Merge branch 'master' into lammps-icms
9bdacec22fa6
Actions

Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Feb 14 2012, 15:42.

Description

Merge branch 'master' into lammps-icms

Resolved Conflicts:
src/GPU/pppm_gpu.h

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Feb 14 2012, 15:42

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS6e9c0faa8ff5: git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7776 f3b2605a-c512-4ea7…
rLAMMPSdc679b390ac0: fix bug in Pair::single() method and clean up coulomb energy calculation and…

Branches

Unknown

Tags

Unknown

Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS9bdacec22fa6: Merge branch 'master' into lammps-icms (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Feb 14 2012, 15:42

Merged Changes

Commit	Author	Details	Committed
6e9c0faa8ff5	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7776 f3b2605a-c512-4ea7…	Feb 13 2012
15b37bc61c6c	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7775 f3b2605a-c512-4ea7…	Feb 13 2012
f05fd3706960	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7774 f3b2605a-c512-4ea7…	Feb 13 2012
9bde12eee0aa	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7772 f3b2605a-c512-4ea7…	Feb 13 2012
acf92b1d1f0f	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7770 f3b2605a-c512-4ea7…	Feb 13 2012
67f6f1fb2292	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7769 f3b2605a-c512-4ea7…	Feb 13 2012
89d5b0363259	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7768 f3b2605a-c512-4ea7…	Feb 13 2012
2de83313b8fc	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7767 f3b2605a-c512-4ea7…	Feb 13 2012
b5315a19802c	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7766 f3b2605a-c512-4ea7…	Feb 13 2012
ee299b0014cd	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7765 f3b2605a-c512-4ea7…	Feb 13 2012
703c3419306e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7764 f3b2605a-c512-4ea7…	Feb 13 2012
63dfdf86af70	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7763 f3b2605a-c512-4ea7…	Feb 13 2012
f1e16c185072	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7762 f3b2605a-c512-4ea7…	Feb 13 2012
1217612ab63a	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7761 f3b2605a-c512-4ea7…	Feb 13 2012

Changes (173)

				Path
	A			doc/Eqs/pair_meam_spline.jpg
	A			doc/Eqs/pair_meam_spline.tex
	D			doc/Eqs/pair_meam_spline_1.png
	D			doc/Eqs/pair_meam_spline_2.png
	M			doc/Manual.pdf
	M			doc/Section_commands.html
	M			doc/Section_commands.txt
	M			doc/Section_errors.html
	M			doc/Section_errors.txt
	M			doc/balance.html
	M			doc/balance.txt
	M			doc/compute_pair_local.html
	M			doc/compute_pair_local.txt
	M			doc/dump_modify.html
	M			doc/dump_modify.txt
	M			doc/fix.html
	M			doc/fix.txt
	M			doc/fix_append_atoms.html
	M			doc/fix_append_atoms.txt
	M			doc/fix_qeq_reax.html
	M			doc/fix_qeq_reax.txt
	M			doc/fix_wall_piston.html
	M			doc/fix_wall_piston.txt
	M			doc/pair_meam_spline.html
	M			doc/pair_meam_spline.txt
	M			src/ASPHERE/compute_erotate_asphere.h
	M			src/ASPHERE/compute_temp_asphere.h
	M			src/ASPHERE/fix_nh_asphere.h
	M			src/ASPHERE/fix_nve_asphere.h
	M			src/ASPHERE/fix_nve_asphere_noforce.h
	M			src/ASPHERE/fix_nve_line.h
	M			src/ASPHERE/fix_nve_tri.cpp
	M			src/ASPHERE/fix_nve_tri.h
	M			src/ASPHERE/pair_gayberne.h
	M			src/ASPHERE/pair_line_lj.h
	M			src/ASPHERE/pair_resquared.cpp
	M			src/ASPHERE/pair_resquared.h
	M			src/ASPHERE/pair_tri_lj.h
	M			src/CLASS2/dihedral_class2.h
	M			src/CLASS2/improper_class2.h
	M			src/COLLOID/fix_wall_colloid.h
	M			src/COLLOID/pair_yukawa_colloid.h
	M			src/DIPOLE/pair_dipole_cut.h
	M			src/FLD/pair_brownian.h
	M			src/FLD/pair_brownian_poly.h
	M			src/FLD/pair_lubricate.h
	M			src/FLD/pair_lubricateU.h
	M			src/FLD/pair_lubricateU_poly.h
	M			src/FLD/pair_lubricate_poly.h
	M			src/GPU/fix_gpu.h
	M			src/GPU/gpu_extra.h
	M			src/GPU/pair_buck_coul_cut_gpu.h
	M			src/GPU/pair_buck_coul_long_gpu.h
	M			src/GPU/pair_buck_gpu.h
	M			src/GPU/pair_coul_long_gpu.h
	M			src/GPU/pair_eam_alloy_gpu.h
	M			src/GPU/pair_eam_fs_gpu.h
	M			src/GPU/pair_eam_gpu.h
	M			src/GPU/pair_gayberne_gpu.cpp
	M			src/GPU/pair_gayberne_gpu.h
	M			src/GPU/pair_lj96_cut_gpu.h
	M			src/GPU/pair_lj_charmm_coul_long_gpu.h
	M			src/GPU/pair_lj_class2_coul_long_gpu.h
	M			src/GPU/pair_lj_class2_gpu.h
	M			src/GPU/pair_lj_cut_coul_cut_gpu.h
	M			src/GPU/pair_lj_cut_coul_long_gpu.h
	M			src/GPU/pair_lj_cut_gpu.h
	M			src/GPU/pair_lj_expand_gpu.h
	M			src/GPU/pair_lj_sdk_coul_long_gpu.h
	M			src/GPU/pair_lj_sdk_gpu.h
	M			src/GPU/pair_morse_gpu.h
	M			src/GPU/pair_resquared_gpu.cpp
	M			src/GPU/pair_resquared_gpu.h
	M			src/GPU/pair_table_gpu.h
	M			src/GPU/pair_yukawa_gpu.h
	M			src/GPU/pppm_gpu.h
	M			src/GRANULAR/fix_wall_gran.h
	M			src/GRANULAR/pair_gran_hooke_history.h
	M			src/KIM/pair_kim.cpp
	M			src/KIM/pair_kim.h
	M			src/KSPACE/pppm_tip4p.h
	M			src/MANYBODY/pair_adp.h
	M			src/MOLECULE/bond_fene.h
	M			src/MOLECULE/bond_fene_expand.h
	M			src/MOLECULE/dihedral_charmm.h
	M			src/MOLECULE/dihedral_harmonic.h
	M			src/MOLECULE/dihedral_helix.h
	M			src/MOLECULE/dihedral_multi_harmonic.h
	M			src/MOLECULE/dihedral_opls.h
	M			src/MOLECULE/improper_cvff.h
	M			src/MOLECULE/improper_harmonic.h
	M			src/MOLECULE/improper_umbrella.h
	M			src/PERI/pair_peri_lps.h
	M			src/PERI/pair_peri_pmb.h
	M			src/REPLICA/neb.h
	M			src/REPLICA/prd.h
	M			src/REPLICA/tad.h
	M			src/REPLICA/temper.h
	M			src/REPLICA/verlet_split.h
	M			src/SHOCK/fix_append_atoms.cpp
	M			src/SHOCK/fix_append_atoms.h
	M			src/SHOCK/fix_nphug.h
	M			src/SHOCK/fix_wall_piston.h
	M			src/SRD/fix_srd.cpp
	M			src/SRD/fix_srd.h
	M			src/atom.h
	M			src/atom_vec_ellipsoid.h
	M			src/atom_vec_line.cpp
	M			src/atom_vec_line.h
	M			src/atom_vec_tri.h
	M			src/balance.cpp
	M			src/balance.h
	M			src/change_box.cpp
	M			src/change_box.h
	M			src/comm.h
	M			src/compute_erotate_sphere.h
	M			src/compute_pair_local.cpp
	M			src/compute_pair_local.h
	M			src/compute_reduce.h
	M			src/compute_reduce_region.h
	M			src/compute_slice.h
	M			src/compute_temp_sphere.h
	M			src/displace_atoms.cpp
	M			src/displace_atoms.h
	M			src/domain.h
	M			src/dump_cfg.h
	M			src/dump_image.h
	M			src/fix_ave_correlate.h
	M			src/fix_ave_time.h
	M			src/fix_deform.h
	M			src/fix_evaporate.h
	M			src/fix_langevin.cpp
	M			src/fix_langevin.h
	M			src/fix_nh.cpp
	M			src/fix_nh.h
	M			src/fix_nh_sphere.h
	M			src/fix_nve_sphere.h
	M			src/fix_restrain.cpp
	M			src/fix_restrain.h
	M			src/fix_rigid.h
	M			src/fix_shake.h
	M			src/fix_wall_region.h
	M			src/force.h
	M			src/image.h
	M			src/input.h
	M			src/lammps.h
	M			src/memory.h
	M			src/neigh_bond.h
	M			src/neigh_derive.h
	M			src/neigh_full.h
	M			src/neigh_gran.h
	M			src/neigh_half_bin.h
	M			src/neigh_half_multi.h
	M			src/neigh_half_nsq.h
	M			src/neigh_respa.h
	M			src/neighbor.h
	M			src/pair_beck.h
	M			src/pair_born_coul_wolf.cpp
	M			src/pair_born_coul_wolf.h
	M			src/pair_coul_wolf.h
	M			src/pair_dpd.h
	M			src/pair_hybrid.h
	M			src/pair_lj_smooth_linear.h
	M			src/procmap.cpp
	M			src/procmap.h
	M			src/read_data.h
	M			src/run.h
	M			src/set.h
	M			src/thermo.h
	M			src/universe.cpp
	M			src/universe.h
	M			src/update.h
	M			src/version.h