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6d725c9b1cb03d1ba3b9caee8d8aefdf1afb4ebe
lammps/src/MOLECULE
History
Axel Kohlmeyer e3beec8b95 revert permission change and replace 'b/c' with 'because'
2020-08-10 11:37:52 -04:00
..
angle_charmm.cpp
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
angle_charmm.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
angle_cosine_delta.cpp
cleaning up include file handling in packages MOLECULE and PERI
2019-07-07 15:46:34 -04:00
angle_cosine_delta.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
angle_cosine_periodic.cpp
fix missing factor of 2 bug in single function
2020-05-30 18:37:54 -04:00
angle_cosine_periodic.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
angle_cosine_squared.cpp
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
angle_cosine_squared.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
angle_cosine.cpp
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
angle_cosine.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
angle_harmonic.cpp
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
angle_harmonic.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
angle_table.cpp
Add missing try-catch
2020-06-02 18:37:04 -04:00
angle_table.h
Merge branch 'master' into improve-include-consistency
2019-07-26 17:24:32 -04:00
atom_vec_angle.cpp
must not override flag for negative angles and bonds
2020-07-11 18:36:19 -04:00
atom_vec_angle.h
enable replicate to work with local ptrs
2019-12-18 08:56:03 -07:00
atom_vec_bond.cpp
whitespace fixes
2020-05-01 08:24:24 -04:00
atom_vec_bond.h
whitespace fixes
2020-05-01 08:24:24 -04:00
atom_vec_full.cpp
whitespace fixes
2020-05-01 08:24:24 -04:00
atom_vec_full.h
enable replicate to work with local ptrs
2019-12-18 08:56:03 -07:00
atom_vec_molecular.cpp
whitespace fixes
2020-05-01 08:24:24 -04:00
atom_vec_molecular.h
enable replicate to work with local ptrs
2019-12-18 08:56:03 -07:00
atom_vec_template.cpp
enable replicate to work with local ptrs
2019-12-18 08:56:03 -07:00
atom_vec_template.h
enable replicate to work with local ptrs
2019-12-18 08:56:03 -07:00
bond_fene_expand.cpp
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
bond_fene_expand.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
bond_fene.cpp
remove debug code
2020-06-25 21:11:39 -04:00
bond_fene.h
the first argument to Bond::extract() should be const char * not char *.
2020-05-18 18:15:10 -04:00
bond_gromos.cpp
the first argument to Bond::extract() should be const char * not char *.
2020-05-18 18:15:10 -04:00
bond_gromos.h
the first argument to Bond::extract() should be const char * not char *.
2020-05-18 18:15:10 -04:00
bond_harmonic.cpp
the first argument to Bond::extract() should be const char * not char *.
2020-05-18 18:15:10 -04:00
bond_harmonic.h
the first argument to Bond::extract() should be const char * not char *.
2020-05-18 18:15:10 -04:00
bond_morse.cpp
the first argument to Bond::extract() should be const char * not char *.
2020-05-18 18:15:10 -04:00
bond_morse.h
the first argument to Bond::extract() should be const char * not char *.
2020-05-18 18:15:10 -04:00
bond_nonlinear.cpp
the first argument to Bond::extract() should be const char * not char *.
2020-05-18 18:15:10 -04:00
bond_nonlinear.h
the first argument to Bond::extract() should be const char * not char *.
2020-05-18 18:15:10 -04:00
bond_quartic.cpp
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
bond_quartic.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
bond_table.cpp
Fix error message in bond_table.cpp
2020-06-05 12:23:20 -04:00
bond_table.h
Merge branch 'master' into improve-include-consistency
2019-07-26 17:24:32 -04:00
dihedral_charmm.cpp
cosmetic changes
2020-07-19 15:19:53 -04:00
dihedral_charmm.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
dihedral_charmmfsw.cpp
cosmetic changes
2020-07-19 15:19:53 -04:00
dihedral_charmmfsw.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
dihedral_harmonic.cpp
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
dihedral_harmonic.h
Small changes to base dihedral_harmonic class
2019-09-09 12:06:52 -06:00
dihedral_helix.cpp
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
dihedral_helix.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
dihedral_multi_harmonic.cpp
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
dihedral_multi_harmonic.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
dihedral_opls.cpp
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
dihedral_opls.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
fix_cmap.cpp
revert permission change and replace 'b/c' with 'because'
2020-08-10 11:37:52 -04:00
fix_cmap.h
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
improper_cvff.cpp
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
improper_cvff.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
improper_harmonic.cpp
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
improper_harmonic.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
improper_umbrella.cpp
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
improper_umbrella.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
pair_hbond_dreiding_lj.cpp
zero out additionally allocated struct Param storage
2020-07-09 00:31:08 -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
zero out additionally allocated struct Param storage
2020-07-09 00:31:08 -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
cleaning up include file handling in packages MOLECULE and PERI
2019-07-07 15:46:34 -04:00
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
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -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
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
pair_lj_charmmfsw_coul_charmmfsh.h
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
pair_lj_cut_tip4p_cut.cpp
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -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
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
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