Searched refs:domain_s_sqrt_inv (Results 1 – 8 of 8) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | almo_scf_types.F | 354 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: domain_s_sqrt_inv component
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| H A D | almo_scf.F | 476 ALLOCATE (almo_scf_env%domain_s_sqrt_inv(ndomains, nspins))
477 CALL init_submatrices(almo_scf_env%domain_s_sqrt_inv)
2310 CALL release_submatrices(almo_scf_env%domain_s_sqrt_inv(:, ispin))
2319 DEALLOCATE (almo_scf_env%domain_s_sqrt_inv)
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| H A D | almo_scf_methods.F | 252 almo_scf_env%domain_s_sqrt_inv(:, ispin), &
771 almo_scf_env%domain_s_sqrt_inv(:, ispin), 0.0_dp, subm_tmp)
772 CALL multiply_submatrices('N', 'N', 1.0_dp, almo_scf_env%domain_s_sqrt_inv(:, ispin), &
834 CALL multiply_submatrices('N', 'N', 1.0_dp, almo_scf_env%domain_s_sqrt_inv(:, ispin), &
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| H A D | almo_scf_optimizer.F | 480 subm_s_sqrt_inv=almo_scf_env%domain_s_sqrt_inv(:, ispin), &
1089 subm_s_sqrt_inv=almo_scf_env%domain_s_sqrt_inv(:, ispin), &
1390 domain_s_inv_half=almo_scf_env%domain_s_sqrt_inv(:, ispin), &
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | almo_scf_types.F | 354 TYPE(domain_submatrix_type), DIMENSION(:, :), ALLOCATABLE :: domain_s_sqrt_inv component
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| H A D | almo_scf.F | 487 ALLOCATE (almo_scf_env%domain_s_sqrt_inv(ndomains, nspins))
488 CALL init_submatrices(almo_scf_env%domain_s_sqrt_inv)
2833 CALL release_submatrices(almo_scf_env%domain_s_sqrt_inv(:, ispin))
2842 DEALLOCATE (almo_scf_env%domain_s_sqrt_inv)
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| H A D | almo_scf_methods.F | 295 almo_scf_env%domain_s_sqrt_inv(:, ispin), &
814 almo_scf_env%domain_s_sqrt_inv(:, ispin), 0.0_dp, subm_tmp)
815 CALL multiply_submatrices('N', 'N', 1.0_dp, almo_scf_env%domain_s_sqrt_inv(:, ispin), &
877 CALL multiply_submatrices('N', 'N', 1.0_dp, almo_scf_env%domain_s_sqrt_inv(:, ispin), &
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| H A D | almo_scf_optimizer.F | 495 subm_s_sqrt_inv=almo_scf_env%domain_s_sqrt_inv(:, ispin), &
1155 subm_s_sqrt_inv=almo_scf_env%domain_s_sqrt_inv(:, ispin), &
1457 domain_s_inv_half=almo_scf_env%domain_s_sqrt_inv(:, ispin), &
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