| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_neighbor_lists.F | 102 TYPE local_atoms_type type
109 END TYPE local_atoms_type
118 PUBLIC :: build_qs_neighbor_lists, local_atoms_type, atom2d_cleanup, &
129 TYPE(local_atoms_type), DIMENSION(:) :: atom2d
171 TYPE(local_atoms_type), DIMENSION(:) :: atom2d
323 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
976 TYPE(local_atoms_type), DIMENSION(:), INTENT(IN) :: atom
1437 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
1526 TYPE(local_atoms_type), DIMENSION(:), INTENT(IN) :: atom
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| H A D | fist_neighbor_lists.F | 67 TYPE local_atoms_type type
70 END TYPE local_atoms_type
129 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom
279 TYPE(local_atoms_type), DIMENSION(:), INTENT(IN) :: atom
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| H A D | mp2_gpw.F | 97 local_atoms_type,&
182 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
1097 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
1329 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
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| H A D | kg_environment.F | 67 local_atoms_type,&
320 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
|
| H A D | qs_tddfpt2_subgroups.F | 70 local_atoms_type,&
591 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
|
| H A D | xas_tdp_integrals.F | 80 local_atoms_type,&
677 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
782 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
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| H A D | qs_tensors.F | 77 local_atoms_type,&
143 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
|
| H A D | energy_corrections.F | 140 local_atoms_type,&
1672 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
|
| H A D | admm_methods.F | 97 local_atoms_type,&
351 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_neighbor_lists.F | 103 TYPE local_atoms_type type
110 END TYPE local_atoms_type
119 PUBLIC :: build_qs_neighbor_lists, local_atoms_type, atom2d_cleanup, &
130 TYPE(local_atoms_type), DIMENSION(:) :: atom2d
172 TYPE(local_atoms_type), DIMENSION(:) :: atom2d
324 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
977 TYPE(local_atoms_type), DIMENSION(:), INTENT(IN) :: atom
1403 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
1492 TYPE(local_atoms_type), DIMENSION(:), INTENT(IN) :: atom
|
| H A D | fist_neighbor_lists.F | 67 TYPE local_atoms_type type
70 END TYPE local_atoms_type
129 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom
279 TYPE(local_atoms_type), DIMENSION(:), INTENT(IN) :: atom
|
| H A D | qs_tddfpt2_subgroups.F | 68 local_atoms_type,&
568 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
|
| H A D | kg_environment.F | 80 local_atoms_type,&
450 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
|
| H A D | kg_energy_corrections.F | 96 local_atoms_type,&
850 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
|
| H A D | mp2_gpw.F | 111 local_atoms_type,&
208 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
1199 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
1512 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
1596 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
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| H A D | qs_tensors.F | 72 local_atoms_type,&
138 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
|
| H A D | xas_tdp_utils.F | 103 local_atoms_type,&
2018 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
2123 TYPE(local_atoms_type), ALLOCATABLE, DIMENSION(:) :: atom2d
|