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Searched refs:buf2_dbcsr (Results 1 – 10 of 10) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dkg_energy_corrections.F667 TYPE(dbcsr_type), POINTER :: buf1_dbcsr, buf2_dbcsr, ortho_dbcsr, & local
701 NULLIFY (ortho_dbcsr, buf1_dbcsr, buf2_dbcsr)
708 CALL dbcsr_init_p(buf2_dbcsr)
709 CALL dbcsr_create(buf2_dbcsr, template=ref_matrix, &
726 0.0_dp, buf2_dbcsr, filter_eps=eps_filter)
727 CALL dbcsr_multiply("T", "N", 1.0_dp, ortho_dbcsr, buf2_dbcsr, &
736 0.0_dp, buf2_dbcsr, filter_eps=eps_filter)
739 CALL dbcsr_multiply("N", "T", focc(ispin), buf2_dbcsr, buf2_dbcsr, &
748 CALL dbcsr_release(buf2_dbcsr)
749 DEALLOCATE (ortho_dbcsr, buf1_dbcsr, buf2_dbcsr)
H A Dqs_scf_types.F110 TYPE(dbcsr_type), POINTER :: ortho_dbcsr, buf1_dbcsr, buf2_dbcsr component
178 NULLIFY (scf_env%buf2_dbcsr)
295 IF (ASSOCIATED(scf_env%buf2_dbcsr)) THEN
298 CALL dbcsr_deallocate_matrix(scf_env%buf2_dbcsr)
H A Dqs_scf_initialization.F494 CALL dbcsr_init_p(scf_env%buf2_dbcsr)
495 CALL dbcsr_create(scf_env%buf2_dbcsr, template=ref_matrix, &
H A Dqs_scf.F841 IF (ASSOCIATED(scf_env%buf2_dbcsr)) THEN
842 CALL dbcsr_deallocate_matrix(scf_env%buf2_dbcsr)
H A Dqs_scf_diagonalization.F223 ksbuf1=scf_env%buf1_dbcsr, ksbuf2=scf_env%buf2_dbcsr)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_scf_types.F110 TYPE(dbcsr_type), POINTER :: ortho_dbcsr, buf1_dbcsr, buf2_dbcsr component
179 NULLIFY (scf_env%buf2_dbcsr)
296 IF (ASSOCIATED(scf_env%buf2_dbcsr)) THEN
299 CALL dbcsr_deallocate_matrix(scf_env%buf2_dbcsr)
H A Denergy_corrections.F1334 TYPE(dbcsr_type), POINTER :: buf1_dbcsr, buf2_dbcsr, buf3_dbcsr, & local
1368 NULLIFY (ortho_dbcsr, buf1_dbcsr, buf2_dbcsr, buf3_dbcsr)
1375 CALL dbcsr_init_p(buf2_dbcsr)
1376 CALL dbcsr_create(buf2_dbcsr, template=ref_matrix, &
1393 0.0_dp, buf2_dbcsr, filter_eps=eps_filter)
1394 CALL dbcsr_multiply("T", "N", 1.0_dp, ortho_dbcsr, buf2_dbcsr, &
1403 0.0_dp, buf2_dbcsr, filter_eps=eps_filter)
1406 CALL dbcsr_multiply("N", "T", focc(ispin), buf2_dbcsr, buf2_dbcsr, &
1414 CALL dbcsr_multiply("N", "T", focc(ispin), buf2_dbcsr, buf3_dbcsr, &
1423 CALL dbcsr_release(buf2_dbcsr)
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H A Dqs_scf_initialization.F494 CALL dbcsr_init_p(scf_env%buf2_dbcsr)
495 CALL dbcsr_create(scf_env%buf2_dbcsr, template=ref_matrix, &
H A Dqs_scf.F875 IF (ASSOCIATED(scf_env%buf2_dbcsr)) THEN
876 CALL dbcsr_deallocate_matrix(scf_env%buf2_dbcsr)
H A Dqs_scf_diagonalization.F223 ksbuf1=scf_env%buf1_dbcsr, ksbuf2=scf_env%buf2_dbcsr)