/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | constraint_3x3.F | 70 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 112 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 149 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 182 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 221 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 262 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 298 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 329 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 362 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 519 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local [all …]
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H A D | constraint_util.F | 77 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 139 SUBROUTINE getold_low(n3x3con, n4x6con, colv_list, g3x3_list, g4x6_list, fixd_list, & argument 144 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 217 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 288 SUBROUTINE pv_constraint_low(ng3x3, ng4x6, g3x3_list, g4x6_list, colv_list, & argument 292 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local
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H A D | topology_constraint_util.F | 121 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list local 969 SUBROUTINE setup_g3x3_list(g3x3_list, ilist, cons_info, ng3x3_restraint) argument 970 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list local 1191 SUBROUTINE setup_lg3x3(lg3x3, g3x3_list, first_atom, last_atom) argument 1194 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list local
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H A D | restraint.F | 255 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 354 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 439 SUBROUTINE restraint_3x3_low(ng3x3, g3x3_list, fixd_list, first_atom, & argument 443 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local
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H A D | force_fields_util.F | 517 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list local
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | constraint_3x3.F | 70 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 112 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 149 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 182 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 221 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 262 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 298 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 329 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 362 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 519 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local [all …]
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H A D | constraint_util.F | 77 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 139 SUBROUTINE getold_low(n3x3con, n4x6con, colv_list, g3x3_list, g4x6_list, fixd_list, & argument 144 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 217 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 288 SUBROUTINE pv_constraint_low(ng3x3, ng4x6, g3x3_list, g4x6_list, colv_list, & argument 292 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local
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H A D | topology_constraint_util.F | 121 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list local 969 SUBROUTINE setup_g3x3_list(g3x3_list, ilist, cons_info, ng3x3_restraint) argument 970 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list local 1191 SUBROUTINE setup_lg3x3(lg3x3, g3x3_list, first_atom, last_atom) argument 1194 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list local
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H A D | restraint.F | 255 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 354 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local 439 SUBROUTINE restraint_3x3_low(ng3x3, g3x3_list, fixd_list, first_atom, & argument 443 TYPE(g3x3_constraint_type), POINTER :: g3x3_list(:) local
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H A D | force_fields_util.F | 517 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list local
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/ |
H A D | molecule_kind_types.F | 173 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list component 571 g3x3_list, g4x6_list, vsite_list, torsion_list, shell_list, & argument 593 OPTIONAL, POINTER :: g3x3_list local 865 g3x3_list, ng4x6, nfixd, g4x6_list, nvsite, & argument 899 OPTIONAL, POINTER :: g3x3_list local
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H A D | molecule_types.F | 92 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list component
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/dports/science/cp2k-data/cp2k-7.1.0/src/subsys/ |
H A D | molecule_kind_types.F | 173 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list component 571 g3x3_list, g4x6_list, vsite_list, torsion_list, shell_list, & argument 593 OPTIONAL, POINTER :: g3x3_list local 865 g3x3_list, ng4x6, nfixd, g4x6_list, nvsite, & argument 899 OPTIONAL, POINTER :: g3x3_list local
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H A D | molecule_types.F | 92 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list component
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/thermostat/ |
H A D | thermostat_mapping.F | 840 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list local
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/dports/science/cp2k-data/cp2k-7.1.0/src/motion/thermostat/ |
H A D | thermostat_mapping.F | 840 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list local
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