Searched refs:negf_env (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | negf_methods.F | 251 negf_env=negf_env, &
509 negf_env=negf_env, &
520 negf_env=negf_env, &
537 negf_env=negf_env, &
756 negf_env=negf_env, &
767 negf_env=negf_env, &
785 negf_env=negf_env, &
1070 negf_env=negf_env, &
1088 negf_env=negf_env, &
1107 negf_env=negf_env, &
[all …]
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| H A D | negf_env_types.F | 298 NULLIFY (negf_env%mixing_storage)
763 NULLIFY (negf_env%s_s, negf_env%v_hartree_s, fm_struct)
764 ALLOCATE (negf_env%h_s(nspins))
776 ALLOCATE (negf_env%h_sc(nspins, ncontacts), negf_env%s_sc(ncontacts))
1237 SUBROUTINE negf_env_release(negf_env) argument
1252 DEALLOCATE (negf_env%contacts)
1256 IF (ALLOCATED(negf_env%h_s)) THEN
1261 DEALLOCATE (negf_env%h_s)
1273 DEALLOCATE (negf_env%h_sc)
1277 IF (ASSOCIATED(negf_env%s_s)) &
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | negf_methods.F | 251 negf_env=negf_env, &
509 negf_env=negf_env, &
520 negf_env=negf_env, &
537 negf_env=negf_env, &
756 negf_env=negf_env, &
767 negf_env=negf_env, &
785 negf_env=negf_env, &
1070 negf_env=negf_env, &
1088 negf_env=negf_env, &
1107 negf_env=negf_env, &
[all …]
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| H A D | negf_env_types.F | 298 NULLIFY (negf_env%mixing_storage)
763 NULLIFY (negf_env%s_s, negf_env%v_hartree_s, fm_struct)
764 ALLOCATE (negf_env%h_s(nspins))
776 ALLOCATE (negf_env%h_sc(nspins, ncontacts), negf_env%s_sc(ncontacts))
1237 SUBROUTINE negf_env_release(negf_env) argument
1252 DEALLOCATE (negf_env%contacts)
1256 IF (ALLOCATED(negf_env%h_s)) THEN
1261 DEALLOCATE (negf_env%h_s)
1273 DEALLOCATE (negf_env%h_sc)
1277 IF (ASSOCIATED(negf_env%s_s)) &
[all …]
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