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Searched refs:matrix_sigma (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dalmo_scf.F714 sigma=almo_scf_env%matrix_sigma(ispin), &
1693 overlap=almo_scf_env%matrix_sigma(ispin), &
2062 sigma=almo_scf_env%matrix_sigma(ispin), &
2158 overlap=almo_scf_env%matrix_sigma(ispin), &
2296 ALLOCATE (almo_scf_env%matrix_sigma(nspins))
2352 CALL matrix_almo_create(matrix_new=almo_scf_env%matrix_sigma(ispin), &
2399 template=almo_scf_env%matrix_sigma(ispin), &
2402 template=almo_scf_env%matrix_sigma(ispin), &
2728 CALL dbcsr_release(almo_scf_env%matrix_sigma(ispin))
2785 DEALLOCATE (almo_scf_env%matrix_sigma)
H A Dalmo_scf_types.F290 TYPE(dbcsr_type), DIMENSION(:), ALLOCATABLE :: matrix_sigma, & component
H A Dalmo_scf_optimizer.F355 sigma=almo_scf_env%matrix_sigma(ispin), &
665 sigma=almo_scf_env%matrix_sigma(ispin), &
1096 template=almo_scf_env%matrix_sigma(ispin), &
3375 template=almo_scf_env%matrix_sigma(ispin), &
3378 template=almo_scf_env%matrix_sigma(ispin), &
3383 almo_scf_env%matrix_sigma(ispin), &
3396 almo_scf_env%matrix_sigma(ispin), &
4740 sigma=almo_scf_env%matrix_sigma(ispin), &
9229 template=almo_scf_env%matrix_sigma(ispin), &
10352 sigma=almo_scf_env%matrix_sigma(ispin), &
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/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dalmo_scf.F703 sigma=almo_scf_env%matrix_sigma(ispin), &
1638 overlap=almo_scf_env%matrix_sigma(ispin), &
1773 ALLOCATE (almo_scf_env%matrix_sigma(nspins))
1829 CALL matrix_almo_create(matrix_new=almo_scf_env%matrix_sigma(ispin), &
1876 template=almo_scf_env%matrix_sigma(ispin), &
1879 template=almo_scf_env%matrix_sigma(ispin), &
2205 CALL dbcsr_release(almo_scf_env%matrix_sigma(ispin))
2262 DEALLOCATE (almo_scf_env%matrix_sigma)
H A Dalmo_scf_optimizer.F340 sigma=almo_scf_env%matrix_sigma(ispin), &
650 sigma=almo_scf_env%matrix_sigma(ispin), &
1039 template=almo_scf_env%matrix_sigma(ispin), &
1193 sigma=almo_scf_env%matrix_sigma(ispin), &
1252 CALL determinant(almo_scf_env%matrix_sigma(ispin), det1, &
2371 template=almo_scf_env%matrix_sigma(ispin), &
2374 template=almo_scf_env%matrix_sigma(ispin), &
2379 almo_scf_env%matrix_sigma(ispin), &
2392 almo_scf_env%matrix_sigma(ispin), &
2605 template=almo_scf_env%matrix_sigma(ispin), &
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H A Dalmo_scf_types.F290 TYPE(dbcsr_type), DIMENSION(:), ALLOCATABLE :: matrix_sigma, & component