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Searched defs:g3x3_list (Results 1 – 16 of 16) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dconstraint_3x3.F70 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 …]
H A Dconstraint_util.F77 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
H A Dtopology_constraint_util.F121 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
H A Drestraint.F255 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
H A Dforce_fields_util.F517 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dconstraint_3x3.F70 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 …]
H A Dconstraint_util.F77 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
H A Dtopology_constraint_util.F121 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
H A Drestraint.F255 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
H A Dforce_fields_util.F517 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/
H A Dmolecule_kind_types.F173 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
H A Dmolecule_types.F92 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list component
/dports/science/cp2k-data/cp2k-7.1.0/src/subsys/
H A Dmolecule_kind_types.F173 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
H A Dmolecule_types.F92 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list component
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/thermostat/
H A Dthermostat_mapping.F840 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list local
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/thermostat/
H A Dthermostat_mapping.F840 TYPE(g3x3_constraint_type), DIMENSION(:), POINTER :: g3x3_list local