Searched refs:c_forces (Results 1 – 3 of 3) sorted by relevance
| /dports/science/gromacs/gromacs-2021.4/src/gromacs/mdtypes/tests/ |
| H A D | forcebuffers.cpp | 56 const std::array<RVec, 2> c_forces = { { { 0.5, 0.1, 1.2 }, { -2.1, 0.2, 0.3 } } }; variable
107 v = c_forces[i]; in TEST()
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_ks_methods.F | 1077 LOGICAL :: c_forces, do_rebuild, energy_only, & local
1085 c_forces = .FALSE.
1088 IF (PRESENT(calculate_forces)) c_forces = calculate_forces
1090 IF (c_forces) THEN
1109 do_rebuild = do_rebuild .OR. (c_forces .AND. .NOT. forces_up_to_date)
1118 calculate_forces=c_forces, &
1126 forces_up_to_date=forces_up_to_date .OR. c_forces)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_ks_methods.F | 1097 LOGICAL :: c_forces, do_rebuild, energy_only, & local
1105 c_forces = .FALSE.
1108 IF (PRESENT(calculate_forces)) c_forces = calculate_forces
1110 IF (c_forces) THEN
1129 do_rebuild = do_rebuild .OR. (c_forces .AND. .NOT. forces_up_to_date)
1138 calculate_forces=c_forces, &
1146 forces_up_to_date=forces_up_to_date .OR. c_forces)
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