Searched refs:contact_env (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | negf_env_types.F | 464 NULLIFY (contact_env%s_00, contact_env%s_01)
469 ALLOCATE (contact_env%h_00(nspins), contact_env%h_01(nspins))
470 ALLOCATE (contact_env%rho_00(nspins), contact_env%rho_01(nspins))
646 ALLOCATE (contact_env%h_00(nspins), contact_env%h_01(nspins))
647 ALLOCATE (contact_env%rho_00(nspins), contact_env%rho_01(nspins))
658 NULLIFY (contact_env%s_00, contact_env%s_01)
882 ncontacts = SIZE(contact_env)
886 dirvector_bias = contact_env(2)%origin_bias - contact_env(1)%origin_bias
1357 IF (ALLOCATED(contact_env%atomlist_cell0)) DEALLOCATE (contact_env%atomlist_cell0)
1358 IF (ALLOCATED(contact_env%atomlist_cell1)) DEALLOCATE (contact_env%atomlist_cell1)
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | negf_env_types.F | 464 NULLIFY (contact_env%s_00, contact_env%s_01)
469 ALLOCATE (contact_env%h_00(nspins), contact_env%h_01(nspins))
470 ALLOCATE (contact_env%rho_00(nspins), contact_env%rho_01(nspins))
646 ALLOCATE (contact_env%h_00(nspins), contact_env%h_01(nspins))
647 ALLOCATE (contact_env%rho_00(nspins), contact_env%rho_01(nspins))
658 NULLIFY (contact_env%s_00, contact_env%s_01)
882 ncontacts = SIZE(contact_env)
886 dirvector_bias = contact_env(2)%origin_bias - contact_env(1)%origin_bias
1357 IF (ALLOCATED(contact_env%atomlist_cell0)) DEALLOCATE (contact_env%atomlist_cell0)
1358 IF (ALLOCATED(contact_env%atomlist_cell1)) DEALLOCATE (contact_env%atomlist_cell1)
[all …]
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