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1ec7ba547dce933f5ce47a7333a8c393c5530610
lammps/src/MOLECULE
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alphataubio 1ec7ba547d Merge branch 'develop' into alphataubio-kokkos-fixes
2024-10-22 14:47:19 -04:00
..
angle_charmm.cpp
add extract() function to angle_charmm.cpp
2024-09-20 19:19:47 +02:00
angle_charmm.h
add extract() function to angle_charmm.h
2024-09-20 19:16:55 +02:00
angle_cosine_squared.cpp
add extract() function to angle style cosine/squared
2024-09-19 07:21:15 -04:00
angle_cosine_squared.h
add extract() function to angle style cosine/squared
2024-09-19 07:21:15 -04:00
angle_cosine.cpp
next round of IWYU updates
2022-12-12 01:07:46 -05:00
angle_cosine.h
update developer reference text
2022-10-24 11:08:26 -04:00
angle_harmonic.cpp
apply clang-format to have some files with changes
2024-08-22 11:40:26 -04:00
angle_harmonic.h
Include method declaration in angle_harmonic.h
2023-02-22 17:15:13 +02:00
angle_table.cpp
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
angle_table.h
update developer reference text
2022-10-24 11:08:26 -04:00
atom_vec_angle.cpp
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
atom_vec_angle.h
Remove more redundant variables
2022-12-13 10:56:56 -07:00
atom_vec_bond.cpp
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
atom_vec_bond.h
Remove more redundant variables
2022-12-13 10:56:56 -07:00
atom_vec_full.cpp
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
atom_vec_full.h
Remove more redundant variables
2022-12-13 10:56:56 -07:00
atom_vec_molecular.cpp
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
atom_vec_molecular.h
Remove more redundant variables
2022-12-13 10:56:56 -07:00
atom_vec_template.cpp
revert change that breaks backward compatibility
2024-10-05 23:15:50 -04:00
atom_vec_template.h
use virtual inheritance consistently for all atom styles
2022-12-12 20:37:30 -05:00
bond_fene_expand.cpp
add extract() function to bond_fene_expand.cpp
2024-09-20 19:38:58 +02:00
bond_fene_expand.h
add extract() function to bond_fene_expand.h
2024-09-20 19:38:22 +02:00
bond_fene.cpp
Implement born_matrix in bond_fene.cpp
2023-02-23 18:15:43 +02:00
bond_fene.h
Include method declaration in bond_fene.h
2023-02-23 18:14:23 +02:00
bond_gromos.cpp
second round of include-what-you-use updates
2024-02-28 15:37:13 -05:00
bond_gromos.h
Include method declaration in bond_gromos.h
2023-02-14 10:17:27 +02:00
bond_harmonic.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
bond_harmonic.h
update developer reference text
2022-10-24 11:08:26 -04:00
bond_morse.cpp
Update extract() function to bond_morse.cpp
2024-10-11 10:51:14 +02:00
bond_morse.h
Include method declaration in bond_morse.h
2023-02-28 11:59:06 +02:00
bond_quartic.cpp
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
bond_quartic.h
update developer reference text
2022-10-24 11:08:26 -04:00
bond_table.cpp
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
bond_table.h
small cleanup
2023-02-22 16:48:01 -05:00
dihedral_charmm.cpp
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
dihedral_charmm.h
update developer reference text
2022-10-24 11:08:26 -04:00
dihedral_charmmfsw.cpp
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
dihedral_charmmfsw.h
update developer reference text
2022-10-24 11:08:26 -04:00
dihedral_harmonic.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
dihedral_harmonic.h
update developer reference text
2022-10-24 11:08:26 -04:00
dihedral_multi_harmonic.cpp
apply clang-format to have some files with changes
2024-08-22 11:40:26 -04:00
dihedral_multi_harmonic.h
Include method declaration in dihedral_multi_harmonic.h
2023-02-24 09:39:38 +02:00
dihedral_opls.cpp
apply clang-format to have some files with changes
2024-08-22 11:40:26 -04:00
dihedral_opls.h
Include method declaration in dihedral_opls.h
2023-02-24 08:48:40 +02:00
dihedral_table.cpp
improve error messages and make them consistent across variants
2023-02-23 09:40:51 -05:00
dihedral_table.h
update developer reference text
2022-10-24 11:08:26 -04:00
fix_cmap.cpp
Update fix_cmap.cpp
2024-10-05 17:03:50 -04:00
fix_cmap.h
revert to original cmap plus minimal changes for kk
2024-09-08 16:46:16 -04:00
improper_cvff.cpp
encode improper symmetries
2023-03-09 22:04:08 -05:00
improper_cvff.h
update developer reference text
2022-10-24 11:08:26 -04:00
improper_harmonic.cpp
encode improper symmetries
2023-03-09 22:04:08 -05:00
improper_harmonic.h
update developer reference text
2022-10-24 11:08:26 -04:00
improper_umbrella.cpp
explicitly specify central atom
2023-03-15 21:29:14 -04:00
improper_umbrella.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_hbond_dreiding_lj.cpp
report proper style name in error messages
2024-09-02 21:21:14 -04:00
pair_hbond_dreiding_lj.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_hbond_dreiding_morse.cpp
report proper style name in error messages
2024-09-02 21:21:14 -04:00
pair_hbond_dreiding_morse.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_charmm_implicit.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_charmm_implicit.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_charmm.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_charmm.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_charmmfsw_coul_charmmfsh.cpp
remove more duplicate semicolons
2023-06-25 06:02:17 -04:00
pair_lj_charmmfsw_coul_charmmfsh.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cut_tip4p_cut.cpp
expand_type_int verify->bool
2024-08-18 23:05:52 -06:00
pair_lj_cut_tip4p_cut.h
convert rest of tip4p
2024-08-08 18:13:19 -04:00
pair_tip4p_cut.cpp
expand_type_int verify->bool
2024-08-18 23:05:52 -06:00
pair_tip4p_cut.h
convert rest of tip4p
2024-08-08 18:13:19 -04:00