| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/ |
| H A D | molecule_kind_types.F | 87 TYPE torsion_type type
91 END TYPE torsion_type
167 TYPE(torsion_type), DIMENSION(:), POINTER :: torsion_list
216 torsion_type, &
598 TYPE(torsion_type), DIMENSION(:), OPTIONAL, &
890 TYPE(torsion_type), DIMENSION(:), OPTIONAL, &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/subsys/ |
| H A D | molecule_kind_types.F | 87 TYPE torsion_type type
91 END TYPE torsion_type
167 TYPE(torsion_type), DIMENSION(:), POINTER :: torsion_list
216 torsion_type, &
598 TYPE(torsion_type), DIMENSION(:), OPTIONAL, &
890 TYPE(torsion_type), DIMENSION(:), OPTIONAL, &
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| /dports/science/qbox/qbox-public-rel1_73_3/src/ |
| H A D | ConstraintSet.cpp | 47 angle_type, torsion_type } in define_constraint() enumerator
95 type = torsion_type; in define_constraint()
375 else if ( type == torsion_type ) in define_constraint()
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| /dports/math/polymake/polymake-4.5/lib/core/include/ |
| H A D | Smith_normal_form.h | 487 using torsion_type = std::list<std::pair<E, Int>>; variable
492 …DeclTemplFIELD(torsion, torsion_type) // list of torsion coefficients extracted from th…
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | fist_intra_force.F | 31 shell_type, torsion_type, ub_type
127 TYPE(torsion_type), POINTER :: torsion_list(:)
|
| H A D | force_fields_util.F | 65 set_molecule_kind, torsion_type, ub_type
525 TYPE(torsion_type), DIMENSION(:), POINTER :: new_torsion_list, torsion_list
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| H A D | topology_connectivity_util.F | 29 molecule_kind_type, opbend_type, set_molecule_kind, torsion_type, ub_type
93 TYPE(torsion_type), DIMENSION(:), POINTER :: torsion_list
|
| H A D | force_fields_all.F | 58 set_molecule_kind, shell_type, torsion_type, ub_type
449 TYPE(torsion_type), DIMENSION(:), POINTER :: torsion_list
1281 TYPE(torsion_type), DIMENSION(:), POINTER :: torsion_list
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | fist_intra_force.F | 31 shell_type, torsion_type, ub_type
127 TYPE(torsion_type), POINTER :: torsion_list(:)
|
| H A D | force_fields_util.F | 65 set_molecule_kind, torsion_type, ub_type
525 TYPE(torsion_type), DIMENSION(:), POINTER :: new_torsion_list, torsion_list
|
| H A D | topology_connectivity_util.F | 29 molecule_kind_type, opbend_type, set_molecule_kind, torsion_type, ub_type
93 TYPE(torsion_type), DIMENSION(:), POINTER :: torsion_list
|
| H A D | force_fields_all.F | 58 set_molecule_kind, shell_type, torsion_type, ub_type
449 TYPE(torsion_type), DIMENSION(:), POINTER :: torsion_list
1281 TYPE(torsion_type), DIMENSION(:), POINTER :: torsion_list
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/ |
| H A D | mc_moves.F | 53 torsion_type
1759 TYPE(torsion_type), DIMENSION(:), POINTER :: torsion_list
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/ |
| H A D | mc_moves.F | 53 torsion_type
1760 TYPE(torsion_type), DIMENSION(:), POINTER :: torsion_list
|