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Searched defs:colv_list (Results 1 – 18 of 18) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dconstraint_clv.F84 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
116 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
154 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
201 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
248 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
295 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
484 SUBROUTINE shake_colv_low(fixd_list, colv_list, lcolv, & argument
558 SUBROUTINE shake_update_colv_low(colv_list, dt, motion_section) argument
641 SUBROUTINE rattle_colv_low(fixd_list, colv_list, lcolv, & argument
715 SUBROUTINE shake_roll_colv_low(fixd_list, colv_list, lcolv, & argument
[all …]
H A Dconstraint_util.F75 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
139 SUBROUTINE getold_low(n3x3con, n4x6con, colv_list, g3x3_list, g4x6_list, fixd_list, & argument
143 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
216 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
288 SUBROUTINE pv_constraint_low(ng3x3, ng4x6, g3x3_list, g4x6_list, colv_list, & argument
294 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
H A Dcolvar_utils.F142 POINTER :: colv_list local
388 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
430 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
459 SUBROUTINE eval_colv_low(colv_list, fixd_list, lcolv, particle_set, coords, & argument
462 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
H A Drestraint.F319 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
416 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
581 SUBROUTINE restraint_colv_low(colv_list, fixd_list, lcolv, & argument
584 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
H A Dtopology_constraint_util.F115 POINTER :: colv_list local
890 SUBROUTINE setup_colv_list(colv_list, ilist, gind, cons_info, topology, & argument
894 POINTER :: colv_list local
H A Dforce_fields_util.F515 POINTER :: colv_list local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dconstraint_clv.F84 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
116 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
154 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
201 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
248 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
295 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
484 SUBROUTINE shake_colv_low(fixd_list, colv_list, lcolv, & argument
558 SUBROUTINE shake_update_colv_low(colv_list, dt, motion_section) argument
641 SUBROUTINE rattle_colv_low(fixd_list, colv_list, lcolv, & argument
715 SUBROUTINE shake_roll_colv_low(fixd_list, colv_list, lcolv, & argument
[all …]
H A Dconstraint_util.F75 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
139 SUBROUTINE getold_low(n3x3con, n4x6con, colv_list, g3x3_list, g4x6_list, fixd_list, & argument
143 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
216 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
288 SUBROUTINE pv_constraint_low(ng3x3, ng4x6, g3x3_list, g4x6_list, colv_list, & argument
294 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
H A Dcolvar_utils.F142 POINTER :: colv_list local
388 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
430 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
459 SUBROUTINE eval_colv_low(colv_list, fixd_list, lcolv, particle_set, coords, & argument
462 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
H A Drestraint.F319 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
416 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
581 SUBROUTINE restraint_colv_low(colv_list, fixd_list, lcolv, & argument
584 TYPE(colvar_constraint_type), POINTER :: colv_list(:) local
H A Dtopology_constraint_util.F115 POINTER :: colv_list local
890 SUBROUTINE setup_colv_list(colv_list, ilist, gind, cons_info, topology, & argument
894 POINTER :: colv_list local
H A Dforce_fields_util.F515 POINTER :: colv_list local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/
H A Dmolecule_kind_types.F172 TYPE(colvar_constraint_type), DIMENSION(:), POINTER :: colv_list component
235 SUBROUTINE setup_colvar_counters(colv_list, ncolv) argument
237 POINTER :: colv_list local
570 ub_list, impr_list, opbend_list, colv_list, fixd_list, & argument
589 OPTIONAL, POINTER :: colv_list local
864 torsion_list, fixd_list, ncolv, colv_list, ng3x3, & argument
896 OPTIONAL, POINTER :: colv_list local
H A Dmolecule_types.F91 TYPE(colvar_constraint_type), DIMENSION(:), POINTER :: colv_list component
/dports/science/cp2k-data/cp2k-7.1.0/src/subsys/
H A Dmolecule_kind_types.F172 TYPE(colvar_constraint_type), DIMENSION(:), POINTER :: colv_list component
235 SUBROUTINE setup_colvar_counters(colv_list, ncolv) argument
237 POINTER :: colv_list local
570 ub_list, impr_list, opbend_list, colv_list, fixd_list, & argument
589 OPTIONAL, POINTER :: colv_list local
864 torsion_list, fixd_list, ncolv, colv_list, ng3x3, & argument
896 OPTIONAL, POINTER :: colv_list local
H A Dmolecule_types.F91 TYPE(colvar_constraint_type), DIMENSION(:), POINTER :: colv_list component
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/thermostat/
H A Dthermostat_mapping.F838 POINTER :: colv_list local
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/thermostat/
H A Dthermostat_mapping.F838 POINTER :: colv_list local