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patch_17Aug2017
lammps/src/MOLECULE
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Axel Kohlmeyer 4ec07422f0 avoid division by zero when using cutoff 0.0 with pair_modify shift yes
2017-07-14 23:33:00 -04:00
..
angle_charmm.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
angle_charmm.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
angle_cosine_delta.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
angle_cosine_delta.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
angle_cosine_periodic.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
angle_cosine_periodic.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
angle_cosine_squared.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
angle_cosine_squared.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
angle_cosine.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
angle_cosine.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
angle_harmonic.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
angle_harmonic.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
angle_table.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
angle_table.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
atom_vec_angle.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
atom_vec_angle.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
atom_vec_bond.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
atom_vec_bond.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
atom_vec_full.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
atom_vec_full.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
atom_vec_molecular.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
atom_vec_molecular.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
atom_vec_template.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
atom_vec_template.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
bond_fene_expand.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
bond_fene_expand.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
bond_fene.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
bond_fene.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
bond_harmonic.cpp
Removed changed bond_harmonic from wrong position.
2017-04-10 10:06:03 -04:00
bond_harmonic.h
Removed changed bond_harmonic from wrong position.
2017-04-10 10:06:03 -04:00
bond_morse.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
bond_morse.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
bond_nonlinear.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
bond_nonlinear.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
bond_quartic.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
bond_quartic.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
bond_table.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
bond_table.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
dihedral_charmm.cpp
may check for 1-4 scaling factors in CHARMM dihedral styles only when "weightflag" is set, since they may be used with amber
2017-06-21 19:29:31 -04:00
dihedral_charmm.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
dihedral_charmmfsw.cpp
may check for 1-4 scaling factors in CHARMM dihedral styles only when "weightflag" is set, since they may be used with amber
2017-06-21 19:29:31 -04:00
dihedral_charmmfsw.h
patch 11Apr17
2017-04-11 09:00:37 -06:00
dihedral_harmonic.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
dihedral_harmonic.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
dihedral_helix.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
dihedral_helix.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
dihedral_multi_harmonic.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
dihedral_multi_harmonic.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
dihedral_opls.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
dihedral_opls.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
fix_cmap.cpp
remove dead code and reduce trivial compiler warnings (clang++)
2017-03-27 14:28:50 -04:00
fix_cmap.h
pair TIP4P bug fix for cutoffs >> box size
2017-01-06 09:57:27 -07:00
improper_cvff.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
improper_cvff.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
improper_harmonic.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
improper_harmonic.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
improper_umbrella.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
improper_umbrella.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
pair_hbond_dreiding_lj.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
pair_hbond_dreiding_lj.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_hbond_dreiding_morse.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
pair_hbond_dreiding_morse.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_lj_charmm_coul_charmm_implicit.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
pair_lj_charmm_coul_charmm_implicit.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_lj_charmm_coul_charmm.cpp
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
pair_lj_charmm_coul_charmm.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-27 13:41:29 +00:00
pair_lj_charmmfsw_coul_charmmfsh.cpp
print info messages when changing qqr2e constant in fully CHARMM compatible pair styles
2017-06-22 18:41:44 -04:00
pair_lj_charmmfsw_coul_charmmfsh.h
new CHARMM pair styles with force swithing/shifting
2017-03-24 13:53:07 -06:00
pair_lj_cut_tip4p_cut.cpp
avoid division by zero when using cutoff 0.0 with pair_modify shift yes
2017-07-14 23:33:00 -04:00
pair_lj_cut_tip4p_cut.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_tip4p_cut.cpp
pair TIP4P bug fix for cutoffs >> box size
2017-01-06 09:57:27 -07:00
pair_tip4p_cut.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00