Searched refs:matrix_sc (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_scf_block_davidson.F | 497 matrix_sc, matrix_z, mo_coeff_b, & local
505 NULLIFY (mo_coeff, mo_coeff_b, matrix_hc, matrix_sc, matrix_z, matrix_pz, matrix_mm)
539 CALL dbcsr_init_p(matrix_sc)
540 CALL dbcsr_create(matrix_sc, template=mo_coeff_b, &
568 CALL dbcsr_copy(matrix_z, matrix_sc)
634 CALL dbcsr_release_p(matrix_sc)
734 CALL dbcsr_init_p(matrix_sc)
746 CALL dbcsr_multiply('n', 'n', 1.0_dp, matrix_s, mo_notconv, 0.0_dp, matrix_sc, &
749 CALL dbcsr_copy(matrix_z, matrix_sc)
836 … CALL dbcsr_multiply('n', 'n', 1.0_dp, matrix_s, matrix_pz, 0.0_dp, matrix_sc, last_column=k)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_scf_block_davidson.F | 497 matrix_sc, matrix_z, mo_coeff_b, & local
505 NULLIFY (mo_coeff, mo_coeff_b, matrix_hc, matrix_sc, matrix_z, matrix_pz, matrix_mm)
539 CALL dbcsr_init_p(matrix_sc)
540 CALL dbcsr_create(matrix_sc, template=mo_coeff_b, &
568 CALL dbcsr_copy(matrix_z, matrix_sc)
634 CALL dbcsr_release_p(matrix_sc)
734 CALL dbcsr_init_p(matrix_sc)
746 CALL dbcsr_multiply('n', 'n', 1.0_dp, matrix_s, mo_notconv, 0.0_dp, matrix_sc, &
749 CALL dbcsr_copy(matrix_z, matrix_sc)
836 … CALL dbcsr_multiply('n', 'n', 1.0_dp, matrix_s, matrix_pz, 0.0_dp, matrix_sc, last_column=k)
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