Searched refs:matrix_ia_jnu (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | mp2_integrals.F | 272 matrix_ia_jb, matrix_ia_jb_beta, matrix_ia_jnu, matrix_ia_jnu_beta, matrix_in_jm, & local 333 CALL create_intermediate_matrices(matrix_ia_jnu, matrix_ia_jb, mo_coeff_o, virtual, homo, & 683 CALL ao_to_mo_and_store_B(para_env_sub, mat_munu, matrix_ia_jnu, matrix_ia_jb, & 728 CALL dbcsr_release(matrix_ia_jnu) 1190 TYPE(dbcsr_type), INTENT(OUT) :: matrix_ia_jnu, matrix_ia_jb local 1211 CALL dbcsr_create(matrix_ia_jnu, template=mo_coeff_templ) 1218 CALL dbcsr_set(matrix_ia_jnu, 0.0_dp) 1272 …SUBROUTINE ao_to_mo_and_store_B(para_env, mat_munu, matrix_ia_jnu, matrix_ia_jb, fm_BIb_jb, BIb_jb… argument 1278 TYPE(dbcsr_type), INTENT(INOUT) :: matrix_ia_jnu, matrix_ia_jb local 1296 0.0_dp, matrix_ia_jnu, filter_eps=eps_filter) [all …]
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H A D | mp2_gpw_method.F | 168 matrix_ia_jnu, matrix_ia_jnu_beta local 188 CALL dbcsr_create(matrix_ia_jnu, template=mo_coeff_o) 195 CALL dbcsr_set(matrix_ia_jnu, 0.0_dp) 462 0.0_dp, matrix_ia_jnu, filter_eps=eps_filter) 470 CALL dbcsr_multiply("T", "N", 1.0_dp, matrix_ia_jnu, mo_coeff_v, & 599 CALL dbcsr_release(matrix_ia_jnu)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | mp2_gpw_method.F | 168 matrix_ia_jnu, matrix_ia_jnu_beta local 188 CALL dbcsr_create(matrix_ia_jnu, template=mo_coeff_o) 195 CALL dbcsr_set(matrix_ia_jnu, 0.0_dp) 462 0.0_dp, matrix_ia_jnu, filter_eps=eps_filter) 470 CALL dbcsr_multiply("T", "N", 1.0_dp, matrix_ia_jnu, mo_coeff_v, & 599 CALL dbcsr_release(matrix_ia_jnu)
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H A D | mp2_integrals.F | 306 matrix_ia_jb, matrix_ia_jb_beta, matrix_ia_jnu, matrix_ia_jnu_beta, matrix_in_jm, & local 368 CALL create_intermediate_matrices(matrix_ia_jnu, matrix_ia_jb, mo_coeff_o, virtual, homo, & 686 CALL ao_to_mo_and_store_B(para_env_sub, mat_munu, matrix_ia_jnu, matrix_ia_jb, & 731 CALL dbcsr_release(matrix_ia_jnu) 1329 TYPE(dbcsr_type), INTENT(OUT) :: matrix_ia_jnu, matrix_ia_jb local 1350 CALL dbcsr_create(matrix_ia_jnu, template=mo_coeff_templ) 1357 CALL dbcsr_set(matrix_ia_jnu, 0.0_dp) 1411 …SUBROUTINE ao_to_mo_and_store_B(para_env, mat_munu, matrix_ia_jnu, matrix_ia_jb, fm_BIb_jb, BIb_jb… argument 1417 TYPE(dbcsr_type), INTENT(INOUT) :: matrix_ia_jnu, matrix_ia_jb local 1435 0.0_dp, matrix_ia_jnu, filter_eps=eps_filter) [all …]
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