Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
46e8e6c12078
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Jan 18 2014, 17:52.

Description

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms

Resolved Conflicts:
doc/Manual.txt
src/MAKE/Makefile.openmpi
src/MANYBODY/fix_qeq_comb.cpp
src/MANYBODY/pair_nb3b_harmonic.cpp
src/RIGID/fix_rigid_small.cpp
src/RIGID/fix_shake.cpp
src/USER-REAXC/fix_qeq_reax.cpp
src/USER-REAXC/fix_reaxc_bonds.cpp
src/read_data.cpp
src/special.h

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Jan 18 2014, 17:52

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS687616b204c0: git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11263 f3b2605a-c512-4ea7…
rLAMMPS38ac0889296f: update for new desktop installation

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Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS46e8e6c12078: Merge remote-tracking branch 'lammps-ro/master' into lammps-icms (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Jan 18 2014, 17:52

Merged Changes

Commit	Author	Details	Committed
687616b204c0	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11263 f3b2605a-c512-4ea7…	Jan 18 2014
35fd6ca1c337	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11261 f3b2605a-c512-4ea7…	Jan 17 2014
0f89823d78af	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11260 f3b2605a-c512-4ea7…	Jan 17 2014
826fa24c4cd8	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11259 f3b2605a-c512-4ea7…	Jan 17 2014
abe2e642e132	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11258 f3b2605a-c512-4ea7…	Jan 17 2014
cb1ad361fbf0	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11256 f3b2605a-c512-4ea7…	Jan 17 2014
cc19755a391c	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11254 f3b2605a-c512-4ea7…	Jan 17 2014
c68f688ed97e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11253 f3b2605a-c512-4ea7…	Jan 17 2014
af658bc7258e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11251 f3b2605a-c512-4ea7…	Jan 17 2014
bad19033d015	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7…	Jan 17 2014
961be6ee4898	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11249 f3b2605a-c512-4ea7…	Jan 17 2014
4ae92e2cc3fc	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11248 f3b2605a-c512-4ea7…	Jan 17 2014
f4a776d4c3e0	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11247 f3b2605a-c512-4ea7…	Jan 17 2014

Changes (198)
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Very Large Commit

This commit is very large. Load each file individually.

				Path
	M			doc/Manual.html
	M			doc/Manual.txt
	M			doc/Section_accelerate.html
	M			doc/Section_accelerate.txt
	M			doc/Section_start.html
	M			doc/Section_start.txt
	M			doc/atom_modify.html
	M			doc/atom_modify.txt
	M			python/examples/in.simple
	M			python/examples/simple.py
	M			src/CLASS2/dihedral_class2.cpp
	M			src/CLASS2/improper_class2.cpp
	M			src/DIPOLE/atom_vec_dipole.cpp
	M			src/DIPOLE/atom_vec_dipole.h
	M			src/FLD/pair_lubricateU.cpp
	M			src/GPU/fix_gpu.cpp
	M			src/GRANULAR/fix_pour.cpp
	M			src/GRANULAR/fix_pour.h
	M			src/KSPACE/pair_lj_cut_tip4p_long.cpp
	M			src/KSPACE/pair_lj_long_tip4p_long.cpp
	M			src/KSPACE/pair_tip4p_long.cpp
	M			src/MANYBODY/pair_airebo.cpp
	M			src/MANYBODY/pair_bop.cpp
	M			src/MANYBODY/pair_comb.cpp
	M			src/MANYBODY/pair_comb3.cpp
	M			src/MANYBODY/pair_lcbop.cpp
	M			src/MANYBODY/pair_nb3b_harmonic.cpp
	M			src/MANYBODY/pair_sw.cpp
	M			src/MANYBODY/pair_tersoff.cpp
	M			src/MC/fix_bond_break.cpp
	M			src/MC/fix_bond_break.h
	M			src/MC/fix_bond_create.cpp
	M			src/MC/fix_bond_create.h
	M			src/MC/fix_bond_swap.cpp
	M			src/MC/fix_gcmc.cpp
	M			src/MISC/fix_deposit.cpp
	M			src/MISC/fix_deposit.h
	M			src/MISC/fix_evaporate.cpp
	M			src/MISC/fix_orient_fcc.cpp
	M			src/MISC/fix_orient_fcc.h
	M			src/MOLECULE/atom_vec_angle.cpp
	M			src/MOLECULE/atom_vec_angle.h
	M			src/MOLECULE/atom_vec_bond.cpp
	M			src/MOLECULE/atom_vec_bond.h
	M			src/MOLECULE/atom_vec_full.cpp
	M			src/MOLECULE/atom_vec_full.h
	M			src/MOLECULE/atom_vec_molecular.cpp
	M			src/MOLECULE/atom_vec_molecular.h
	M			src/MOLECULE/bond_fene.cpp
	M			src/MOLECULE/bond_fene_expand.cpp
	M			src/MOLECULE/dihedral_charmm.cpp
	M			src/MOLECULE/dihedral_harmonic.cpp
	M			src/MOLECULE/dihedral_helix.cpp
	M			src/MOLECULE/dihedral_multi_harmonic.cpp
	M			src/MOLECULE/dihedral_opls.cpp
	M			src/MOLECULE/improper_cvff.cpp
	M			src/MOLECULE/improper_harmonic.cpp
	M			src/MOLECULE/improper_umbrella.cpp
	M			src/MOLECULE/pair_hbond_dreiding_lj.cpp
	M			src/MOLECULE/pair_hbond_dreiding_morse.cpp
	M			src/MOLECULE/pair_lj_cut_tip4p_cut.cpp
	M			src/MOLECULE/pair_tip4p_cut.cpp
	M			src/Makefile.shlib
	M			src/OPT/pair_lj_cut_tip4p_long_opt.cpp
	M			src/PERI/atom_vec_peri.cpp
	M			src/PERI/atom_vec_peri.h
	M			src/PERI/compute_damage_atom.cpp
	M			src/PERI/fix_peri_neigh.cpp
	M			src/PERI/fix_peri_neigh.h
	M			src/PERI/pair_peri_lps.cpp
	M			src/PERI/pair_peri_pmb.cpp
	M			src/PERI/pair_peri_ves.cpp
	M			src/POEMS/fix_poems.cpp
	M			src/POEMS/fix_poems.h
	M			src/REAX/fix_reax_bonds.cpp
	M			src/REPLICA/neb.cpp
	M			src/REPLICA/prd.cpp
	M			src/REPLICA/prd.h
	M			src/REPLICA/verlet_split.cpp
	M			src/RIGID/fix_rigid_small.cpp
	M			src/RIGID/fix_rigid_small.h
	M			src/RIGID/fix_shake.cpp
	M			src/RIGID/fix_shake.h
	M			src/SHOCK/fix_append_atoms.cpp
	M			src/SRD/fix_srd.cpp
	M			src/USER-AWPMD/atom_vec_wavepacket.cpp
	M			src/USER-AWPMD/atom_vec_wavepacket.h
	M			src/USER-COLVARS/colvarproxy_lammps.cpp
	M			src/USER-CUDA/comm_cuda.cpp
	M			src/USER-EFF/atom_vec_electron.cpp
	M			src/USER-EFF/atom_vec_electron.h
	M			src/USER-EFF/pair_eff_cut.cpp
	M			src/USER-MISC/dihedral_cosine_shift_exp.cpp
	M			src/USER-MISC/dihedral_fourier.cpp
	M			src/USER-MISC/dihedral_nharmonic.cpp
	M			src/USER-MISC/dihedral_quadratic.cpp
	M			src/USER-MISC/fix_imd.cpp
	M			src/USER-MISC/improper_cossq.cpp
	M			src/USER-MISC/improper_fourier.cpp
	M			src/USER-MISC/pair_edip.cpp
	M			src/USER-MISC/pair_list.cpp
	M			src/USER-MISC/pair_list.h
	M			src/USER-MISC/pair_tersoff_table.cpp
	M			src/USER-MOLFILE/dump_molfile.cpp
	M			src/USER-OMP/thr_omp.cpp
	M			src/USER-PHONON/fix_phonon.cpp
	M			src/USER-REAXC/fix_qeq_reax.cpp
	M			src/USER-REAXC/fix_reaxc_bonds.cpp
	M			src/USER-REAXC/fix_reaxc_bonds.h
	M			src/USER-REAXC/pair_reax_c.cpp
	M			src/USER-REAXC/reaxc_types.h
	M			src/USER-SPH/atom_vec_meso.cpp
	M			src/USER-SPH/atom_vec_meso.h
	M			src/XTC/dump_xtc.cpp
	M			src/XTC/dump_xtc.h
	M			src/atom.cpp
	M			src/atom.h
	M			src/atom_map.cpp
	M			src/atom_vec.cpp
	M			src/atom_vec.h
	M			src/atom_vec_atomic.cpp
	M			src/atom_vec_atomic.h
	M			src/atom_vec_body.cpp
	M			src/atom_vec_body.h
	M			src/atom_vec_charge.cpp
	M			src/atom_vec_charge.h
	M			src/atom_vec_ellipsoid.cpp
	M			src/atom_vec_ellipsoid.h
	M			src/atom_vec_hybrid.cpp
	M			src/atom_vec_hybrid.h
	M			src/atom_vec_line.cpp
	M			src/atom_vec_line.h
	M			src/atom_vec_sphere.cpp
	M			src/atom_vec_sphere.h
	M			src/atom_vec_tri.cpp
	M			src/atom_vec_tri.h
	M			src/compute_angle_local.cpp
	M			src/compute_bond_local.cpp
	M			src/compute_cluster_atom.cpp
	M			src/compute_dihedral_local.cpp
	M			src/compute_improper_local.cpp
	M			src/compute_property_atom.cpp
	M			src/compute_property_local.cpp
	M			src/create_atoms.cpp
	M			src/delete_atoms.cpp
	M			src/domain.cpp
	M			src/dump.cpp
	M			src/dump.h
	M			src/dump_atom.cpp
	M			src/dump_atom.h
	M			src/dump_cfg.cpp
	M			src/dump_custom.cpp
	M			src/dump_custom.h
	M			src/dump_dcd.cpp
	M			src/dump_dcd.h
	M			src/dump_image.cpp
	M			src/dump_local.cpp
	M			src/dump_local.h
	M			src/dump_xyz.cpp
	M			src/dump_xyz.h
	M			src/fix.h
	M			src/fix_external.h
	M			src/fix_property_atom.cpp
	M			src/fix_property_atom.h
	M			src/fix_restrain.cpp
	M			src/fix_shear_history.cpp
	M			src/fix_shear_history.h
	M			src/fix_store_state.cpp
	M			src/fix_tmd.cpp
	M			src/force.cpp
	M			src/force.h
	M			src/group.cpp
	M			src/lammps.cpp
	M			src/library.cpp
	M			src/lmptype.h
	M			src/molecule.cpp
	M			src/molecule.h
	M			src/neigh_bond.cpp
	M			src/neigh_full.cpp
	M			src/neigh_gran.cpp
	M			src/neigh_half_bin.cpp
	M			src/neigh_half_multi.cpp
	M			src/neigh_half_nsq.cpp
	M			src/neigh_respa.cpp
	M			src/neighbor.h
	M			src/read_data.cpp
	M			src/read_data.h
	M			src/read_dump.cpp
	M			src/read_restart.cpp
	M			src/replicate.cpp
	M			src/set.cpp
	M			src/special.cpp
	M			src/special.h
	M			src/variable.cpp
	M			src/variable.h
	M			src/velocity.cpp
	M			src/version.h
	M			src/write_data.cpp

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms46e8e6c12078Actions

Description

Details

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Merged Changes

Changes (198)Show All Changes

Very Large Commit

rLAMMPS46e8e6c12078

doc/Manual.html

doc/Manual.txt

doc/Section_accelerate.html

doc/Section_accelerate.txt

doc/Section_start.html

doc/Section_start.txt

doc/atom_modify.html

doc/atom_modify.txt

python/examples/in.simple

python/examples/simple.py

src/CLASS2/dihedral_class2.cpp

src/CLASS2/improper_class2.cpp

src/DIPOLE/atom_vec_dipole.cpp

src/DIPOLE/atom_vec_dipole.h

src/FLD/pair_lubricateU.cpp

src/GPU/fix_gpu.cpp

src/GRANULAR/fix_pour.cpp

src/GRANULAR/fix_pour.h

src/KSPACE/pair_lj_cut_tip4p_long.cpp

src/KSPACE/pair_lj_long_tip4p_long.cpp

src/KSPACE/pair_tip4p_long.cpp

src/MANYBODY/pair_airebo.cpp

src/MANYBODY/pair_bop.cpp

src/MANYBODY/pair_comb.cpp

src/MANYBODY/pair_comb3.cpp

src/MANYBODY/pair_lcbop.cpp

src/MANYBODY/pair_nb3b_harmonic.cpp

src/MANYBODY/pair_sw.cpp

src/MANYBODY/pair_tersoff.cpp

src/MC/fix_bond_break.cpp

src/MC/fix_bond_break.h

src/MC/fix_bond_create.cpp

src/MC/fix_bond_create.h

src/MC/fix_bond_swap.cpp

src/MC/fix_gcmc.cpp

src/MISC/fix_deposit.cpp

src/MISC/fix_deposit.h

src/MISC/fix_evaporate.cpp

src/MISC/fix_orient_fcc.cpp

src/MISC/fix_orient_fcc.h

src/MOLECULE/atom_vec_angle.cpp

src/MOLECULE/atom_vec_angle.h

src/MOLECULE/atom_vec_bond.cpp

src/MOLECULE/atom_vec_bond.h

src/MOLECULE/atom_vec_full.cpp

src/MOLECULE/atom_vec_full.h

src/MOLECULE/atom_vec_molecular.cpp

src/MOLECULE/atom_vec_molecular.h

src/MOLECULE/bond_fene.cpp

src/MOLECULE/bond_fene_expand.cpp

src/MOLECULE/dihedral_charmm.cpp

src/MOLECULE/dihedral_harmonic.cpp

src/MOLECULE/dihedral_helix.cpp

src/MOLECULE/dihedral_multi_harmonic.cpp

src/MOLECULE/dihedral_opls.cpp

src/MOLECULE/improper_cvff.cpp

src/MOLECULE/improper_harmonic.cpp

src/MOLECULE/improper_umbrella.cpp

src/MOLECULE/pair_hbond_dreiding_lj.cpp

src/MOLECULE/pair_hbond_dreiding_morse.cpp

src/MOLECULE/pair_lj_cut_tip4p_cut.cpp

src/MOLECULE/pair_tip4p_cut.cpp

src/Makefile.shlib

src/OPT/pair_lj_cut_tip4p_long_opt.cpp

src/PERI/atom_vec_peri.cpp

src/PERI/atom_vec_peri.h

src/PERI/compute_damage_atom.cpp

src/PERI/fix_peri_neigh.cpp

src/PERI/fix_peri_neigh.h

src/PERI/pair_peri_lps.cpp

src/PERI/pair_peri_pmb.cpp

src/PERI/pair_peri_ves.cpp

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
46e8e6c12078
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Changes (198)
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