Searched refs:matrix_sigma (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | almo_scf.F | 714 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)
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H A D | almo_scf_types.F | 290 TYPE(dbcsr_type), DIMENSION(:), ALLOCATABLE :: matrix_sigma, & component
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H A D | almo_scf_optimizer.F | 355 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), & [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | almo_scf.F | 703 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)
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H A D | almo_scf_optimizer.F | 340 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), & [all …]
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H A D | almo_scf_types.F | 290 TYPE(dbcsr_type), DIMENSION(:), ALLOCATABLE :: matrix_sigma, & component
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