/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | constraint_clv.F | 84 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 …]
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H A D | constraint_util.F | 75 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
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H A D | colvar_utils.F | 142 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
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H A D | restraint.F | 319 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
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H A D | topology_constraint_util.F | 115 POINTER :: colv_list local 890 SUBROUTINE setup_colv_list(colv_list, ilist, gind, cons_info, topology, & argument 894 POINTER :: colv_list local
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H A D | force_fields_util.F | 515 POINTER :: colv_list local
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | constraint_clv.F | 84 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 …]
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H A D | constraint_util.F | 75 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
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H A D | colvar_utils.F | 142 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
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H A D | restraint.F | 319 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
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H A D | topology_constraint_util.F | 115 POINTER :: colv_list local 890 SUBROUTINE setup_colv_list(colv_list, ilist, gind, cons_info, topology, & argument 894 POINTER :: colv_list local
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H A D | force_fields_util.F | 515 POINTER :: colv_list local
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/ |
H A D | molecule_kind_types.F | 172 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
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H A D | molecule_types.F | 91 TYPE(colvar_constraint_type), DIMENSION(:), POINTER :: colv_list component
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/dports/science/cp2k-data/cp2k-7.1.0/src/subsys/ |
H A D | molecule_kind_types.F | 172 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
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H A D | molecule_types.F | 91 TYPE(colvar_constraint_type), DIMENSION(:), POINTER :: colv_list component
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/thermostat/ |
H A D | thermostat_mapping.F | 838 POINTER :: colv_list local
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/dports/science/cp2k-data/cp2k-7.1.0/src/motion/thermostat/ |
H A D | thermostat_mapping.F | 838 POINTER :: colv_list local
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