| /dports/science/p5-Chemistry-MidasPattern/Chemistry-MidasPattern-0.11/lib/Chemistry/ |
| H A D | MidasPattern.pm | 135 sub atom_map { subroutine
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| /dports/science/p5-PerlMol/PerlMol-0.3500/inc/BUNDLES/Chemistry-MidasPattern-0.11/lib/Chemistry/ |
| H A D | MidasPattern.pm | 135 sub atom_map { subroutine
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| /dports/science/p5-PerlMol/PerlMol-0.3500/inc/BUNDLES/Chemistry-FormulaPattern-0.10/lib/Chemistry/ |
| H A D | FormulaPattern.pm | 123 sub atom_map { () } subroutine
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| /dports/science/p5-Chemistry-FormulaPattern/Chemistry-FormulaPattern-0.10/lib/Chemistry/ |
| H A D | FormulaPattern.pm | 123 sub atom_map { () } subroutine
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| /dports/lang/swi-pl/swipl-8.2.3/packages/semweb/ |
| H A D | atom_map.c | 94 typedef struct atom_map struct
102 } atom_map; argument
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| /dports/science/p5-Chemistry-Pattern/Chemistry-Pattern-0.27/ |
| H A D | Pattern.pm | 191 sub atom_map { subroutine
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| /dports/science/p5-PerlMol/PerlMol-0.3500/inc/BUNDLES/Chemistry-Pattern-0.26/ |
| H A D | Pattern.pm | 191 sub atom_map { subroutine
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis/ |
| H A D | petite.cc | 59 int **atom_map; in compute_atom_map() local
102 sc::delete_atom_map(int **atom_map, const Ref<GaussianBasisSet> &basis) in delete_atom_map()
113 sc::compute_shell_map(int **atom_map, const Ref<GaussianBasisSet> &basis) in compute_shell_map()
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| H A D | gpetite.cc | 96 int **atom_map; in GenPetite4() local
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| H A D | petite.h | 152 int atom_map(int n, int g) const { return (c1_) ? n : atom_map_[n][g]; } in atom_map() function
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| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/scripts/ |
| H A D | getresdata.py | 155 atom_map = {} variable
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/scripts/ |
| H A D | getresdata.py | 155 atom_map = {} variable
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| /dports/science/py-qcelemental/qcelemental-0.24.0/qcelemental/models/ |
| H A D | basis.py | 167 atom_map: List[str] = Field( variable in BasisSet
210 def _calculate_nbf(cls, atom_map, center_data) -> int: argument
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| /dports/lang/yap/yap-6.2.2/packages/semweb/ |
| H A D | atom_map.c | 69 typedef struct atom_map struct
74 } atom_map; argument
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | negf_atom_map.F | 73 …SUBROUTINE negf_map_atomic_indices(atom_map, atom_list, subsys_device, subsys_contact, eps_geometr… argument
75 INTENT(out) :: atom_map local
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| H A D | negf_env_types.F | 145 TYPE(negf_atom_map_type), ALLOCATABLE, DIMENSION(:) :: atom_map component
318 SUBROUTINE negf_env_contact_init_maps(contact_env, contact_control, atom_map, & argument
323 DIMENSION(:), INTENT(inout) :: atom_map local
1084 …INE list_atoms_in_bulk_primary_unit_cell(atomlist_cell0, atom_map_cell0, atomlist_bulk, atom_map, & argument
1090 TYPE(negf_atom_map_type), DIMENSION(:), INTENT(in) :: atom_map local
1165 …E list_atoms_in_bulk_secondary_unit_cell(atomlist_cell1, atom_map_cell1, atomlist_bulk, atom_map, & argument
1171 TYPE(negf_atom_map_type), DIMENSION(:), INTENT(in) :: atom_map local
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| H A D | negf_matrix_utils.F | 501 …SUBROUTINE negf_reference_contact_matrix(matrix_contact, matrix_device, atom_list, atom_map, para_… argument
504 TYPE(negf_atom_map_type), DIMENSION(:), INTENT(in) :: atom_map local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | negf_atom_map.F | 73 …SUBROUTINE negf_map_atomic_indices(atom_map, atom_list, subsys_device, subsys_contact, eps_geometr… argument
75 INTENT(out) :: atom_map local
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| H A D | negf_env_types.F | 145 TYPE(negf_atom_map_type), ALLOCATABLE, DIMENSION(:) :: atom_map component
318 SUBROUTINE negf_env_contact_init_maps(contact_env, contact_control, atom_map, & argument
323 DIMENSION(:), INTENT(inout) :: atom_map local
1084 …INE list_atoms_in_bulk_primary_unit_cell(atomlist_cell0, atom_map_cell0, atomlist_bulk, atom_map, & argument
1090 TYPE(negf_atom_map_type), DIMENSION(:), INTENT(in) :: atom_map local
1165 …E list_atoms_in_bulk_secondary_unit_cell(atomlist_cell1, atom_map_cell1, atomlist_bulk, atom_map, & argument
1171 TYPE(negf_atom_map_type), DIMENSION(:), INTENT(in) :: atom_map local
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| /dports/net-mgmt/lldpd/lldpd-1.0.8/src/lib/ |
| H A D | atom.h | 288 struct atom_map { struct
290 struct atom_map *next; argument
294 void atom_map_register(struct atom_map *map, int); argument
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| /dports/graphics/aloadimage/arcan-0.6.1/src/wayland/xwlwm/ |
| H A D | atoms.h | 72 static const char *atom_map[ATOM_LAST] = { variable
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| /dports/sysutils/acfgfs/arcan-0.6.1/src/wayland/xwlwm/ |
| H A D | atoms.h | 72 static const char *atom_map[ATOM_LAST] = { variable
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| /dports/x11/aclip/arcan-0.6.1/src/wayland/xwlwm/ |
| H A D | atoms.h | 72 static const char *atom_map[ATOM_LAST] = { variable
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| /dports/x11/arcan-trayicon/arcan-0.6.1/src/wayland/xwlwm/ |
| H A D | atoms.h | 72 static const char *atom_map[ATOM_LAST] = { variable
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/ |
| H A D | hess.cc | 163 int **atom_map = new int*[natom]; in cartesian_to_symmetry() local
|