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Searched refs:torsion_c (Results 1 – 14 of 14) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dforce_field_types.F71 CHARACTER(LEN=default_string_length), POINTER :: torsion_c(:) component
114 CHARACTER(LEN=default_string_length), POINTER :: torsion_c(:) component
314 NULLIFY (chm_info%torsion_c)
355 NULLIFY (amb_info%torsion_c)
410 NULLIFY (inp_info%torsion_c)
611 IF (ASSOCIATED(chm_info%torsion_c)) THEN
612 DEALLOCATE (chm_info%torsion_c)
711 IF (ASSOCIATED(amb_info%torsion_c)) THEN
712 DEALLOCATE (amb_info%torsion_c)
862 IF (ASSOCIATED(inp_info%torsion_c)) THEN
[all …]
H A Dforce_fields_ext.F517 CALL reallocate(chm_info%torsion_c, 1, ntorsion)
524 chm_info%torsion_c(ntorsion) = string3
532 TRIM(chm_info%torsion_c(ntorsion)), " ", &
755 TRIM(amb_info%torsion_c(i)), " ", &
H A Dforce_fields.F264 ff_type%amb_info%torsion_c(i), &
H A Dforce_fields_all.F1350 ((chm_info%torsion_c(k)) == (name_atm_c)) .AND. &
1354 ((chm_info%torsion_c(k)) == (name_atm_b)) .AND. &
1373 ((chm_info%torsion_c(k)) == (name_atm_c)) .AND. &
1377 ((chm_info%torsion_c(k)) == (name_atm_b)) .AND. &
1399 ((amb_info%torsion_c(k)) == (name_atm_c)) .AND. &
1403 ((amb_info%torsion_c(k)) == (name_atm_b)) .AND. &
1422 ((amb_info%torsion_c(k)) == (name_atm_c)) .AND. &
1426 ((amb_info%torsion_c(k)) == (name_atm_b)) .AND. &
1448 ((inp_info%torsion_c(k)) == (name_atm_c)) .AND. &
1452 ((inp_info%torsion_c(k)) == (name_atm_b)) .AND. &
H A Dtopology_amber.F836 CALL reallocate(amb_info%torsion_c, 1, buffer_size)
844 … amb_info%torsion_c, amb_info%torsion_d, amb_info%torsion_k, &
849 … amb_info%torsion_c, amb_info%torsion_d, amb_info%torsion_k, &
855 CALL reallocate(amb_info%torsion_c, 1, nsize)
H A Dforce_fields_input.F394 CALL reallocate(inp_info%torsion_c, 1, ntors)
400 … inp_info%torsion_c, inp_info%torsion_d, inp_info%torsion_k, inp_info%torsion_phi0, &
1785 …SUBROUTINE read_torsions_section(torsion_kind, torsion_a, torsion_b, torsion_c, torsion_d, torsion… argument
1789 DIMENSION(:), POINTER :: torsion_a, torsion_b, torsion_c, & local
1810 torsion_c(start + isec) = atm_names(3)
1814 CALL uppercase(torsion_c(start + isec))
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dforce_field_types.F71 CHARACTER(LEN=default_string_length), POINTER :: torsion_c(:) component
114 CHARACTER(LEN=default_string_length), POINTER :: torsion_c(:) component
314 NULLIFY (chm_info%torsion_c)
355 NULLIFY (amb_info%torsion_c)
410 NULLIFY (inp_info%torsion_c)
611 IF (ASSOCIATED(chm_info%torsion_c)) THEN
612 DEALLOCATE (chm_info%torsion_c)
711 IF (ASSOCIATED(amb_info%torsion_c)) THEN
712 DEALLOCATE (amb_info%torsion_c)
862 IF (ASSOCIATED(inp_info%torsion_c)) THEN
[all …]
H A Dforce_fields_ext.F517 CALL reallocate(chm_info%torsion_c, 1, ntorsion)
524 chm_info%torsion_c(ntorsion) = string3
532 TRIM(chm_info%torsion_c(ntorsion)), " ", &
755 TRIM(amb_info%torsion_c(i)), " ", &
H A Dforce_fields.F264 ff_type%amb_info%torsion_c(i), &
H A Dforce_fields_all.F1350 ((chm_info%torsion_c(k)) == (name_atm_c)) .AND. &
1354 ((chm_info%torsion_c(k)) == (name_atm_b)) .AND. &
1373 ((chm_info%torsion_c(k)) == (name_atm_c)) .AND. &
1377 ((chm_info%torsion_c(k)) == (name_atm_b)) .AND. &
1399 ((amb_info%torsion_c(k)) == (name_atm_c)) .AND. &
1403 ((amb_info%torsion_c(k)) == (name_atm_b)) .AND. &
1422 ((amb_info%torsion_c(k)) == (name_atm_c)) .AND. &
1426 ((amb_info%torsion_c(k)) == (name_atm_b)) .AND. &
1448 ((inp_info%torsion_c(k)) == (name_atm_c)) .AND. &
1452 ((inp_info%torsion_c(k)) == (name_atm_b)) .AND. &
H A Dtopology_amber.F836 CALL reallocate(amb_info%torsion_c, 1, buffer_size)
844 … amb_info%torsion_c, amb_info%torsion_d, amb_info%torsion_k, &
849 … amb_info%torsion_c, amb_info%torsion_d, amb_info%torsion_k, &
855 CALL reallocate(amb_info%torsion_c, 1, nsize)
H A Dforce_fields_input.F394 CALL reallocate(inp_info%torsion_c, 1, ntors)
400 … inp_info%torsion_c, inp_info%torsion_d, inp_info%torsion_k, inp_info%torsion_phi0, &
1785 …SUBROUTINE read_torsions_section(torsion_kind, torsion_a, torsion_b, torsion_c, torsion_d, torsion… argument
1789 DIMENSION(:), POINTER :: torsion_a, torsion_b, torsion_c, & local
1810 torsion_c(start + isec) = atm_names(3)
1814 CALL uppercase(torsion_c(start + isec))
/dports/science/chrono/chrono-7.0.1/src/chrono_vehicle/tracked_vehicle/suspension/
H A DLinearDamperRWAssembly.cpp71 double torsion_c = d["Torsional Spring"]["Damping Coefficient"].GetDouble(); in Create() local
73 … chrono_types::make_shared<LinearSpringDamperActuatorTorque>(torsion_k, torsion_c, torsion_t, tors… in Create()
H A DRotationalDamperRWAssembly.cpp71 double torsion_c = d["Torsional Spring"]["Damping Coefficient"].GetDouble(); in Create() local
73 … chrono_types::make_shared<LinearSpringDamperActuatorTorque>(torsion_k, torsion_c, torsion_t, tors… in Create()