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Searched refs:matrix_work (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Ddm_ls_scf_curvy.F741 TYPE(dbcsr_type) :: matrix_tmp, matrix_work local
745 CALL dbcsr_create(matrix_work, template=matrix(1), matrix_type=dbcsr_type_no_symmetry)
750 0.0_dp, matrix_work, filter_eps=eps_filter)
751 CALL dbcsr_multiply("N", "N", 1.0_dp, matrix_trafo, matrix_work, &
754 CALL dbcsr_transposed(matrix_work, matrix_tmp)
755 CALL dbcsr_add(matrix_tmp, matrix_work, 0.5_dp, 0.5_dp)
760 CALL dbcsr_release(matrix_work)
H A Dqs_pdos.F186 matrix_work, mo_coeff, mo_virt local
212 NULLIFY (eigenvalues, fm_struct_tmp, matrix_work, matrix_shalf, mo_coeff, vecbuffer)
263 CALL cp_fm_create(matrix_work, fm_struct_tmp, name="matrix_work")
266 CALL cp_fm_power(matrix_shalf, matrix_work, 0.5_dp, EPSILON(0.0_dp), n_dependent)
267 CALL cp_fm_release(matrix_work)
285 CALL cp_fm_create(matrix_work, fm_struct_tmp, name="matrix_shalfc")
287 1.0_dp, matrix_shalf, mo_virt, 0.0_dp, matrix_work)
545 CALL cp_fm_get_submatrix(matrix_work, vecbuffer, 1, imo - nmo, &
904 CALL cp_fm_release(matrix_work)
H A Dmp2_ri_libint.F1323 TYPE(cp_fm_type), POINTER :: matrix_diag, matrix_work local
1327 NULLIFY (matrix_work)
1330 CALL cp_fm_create(matrix_work, matrix%matrix_struct, name="fm_matrix_work")
1333 CALL cp_fm_set_all(matrix=matrix_work, alpha=0.0_dp)
1340 CALL choose_eigv_solver(matrix=matrix_diag, eigenvectors=matrix_work, eigenvalues=evals)
1345 CALL cp_fm_release(matrix_work)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Ddm_ls_scf_curvy.F741 TYPE(dbcsr_type) :: matrix_tmp, matrix_work local
745 CALL dbcsr_create(matrix_work, template=matrix(1), matrix_type=dbcsr_type_no_symmetry)
750 0.0_dp, matrix_work, filter_eps=eps_filter)
751 CALL dbcsr_multiply("N", "N", 1.0_dp, matrix_trafo, matrix_work, &
754 CALL dbcsr_transposed(matrix_work, matrix_tmp)
755 CALL dbcsr_add(matrix_tmp, matrix_work, 0.5_dp, 0.5_dp)
760 CALL dbcsr_release(matrix_work)
H A Dqs_pdos.F186 matrix_work, mo_coeff, mo_virt local
212 NULLIFY (eigenvalues, fm_struct_tmp, matrix_work, matrix_shalf, mo_coeff, vecbuffer)
263 CALL cp_fm_create(matrix_work, fm_struct_tmp, name="matrix_work")
266 CALL cp_fm_power(matrix_shalf, matrix_work, 0.5_dp, EPSILON(0.0_dp), n_dependent)
267 CALL cp_fm_release(matrix_work)
285 CALL cp_fm_create(matrix_work, fm_struct_tmp, name="matrix_shalfc")
287 1.0_dp, matrix_shalf, mo_virt, 0.0_dp, matrix_work)
545 CALL cp_fm_get_submatrix(matrix_work, vecbuffer, 1, imo - nmo, &
904 CALL cp_fm_release(matrix_work)
H A Dmp2_ri_libint.F1323 TYPE(cp_fm_type), POINTER :: matrix_diag, matrix_work local
1327 NULLIFY (matrix_work)
1330 CALL cp_fm_create(matrix_work, matrix%matrix_struct, name="fm_matrix_work")
1333 CALL cp_fm_set_all(matrix=matrix_work, alpha=0.0_dp)
1340 CALL choose_eigv_solver(matrix=matrix_diag, eigenvectors=matrix_work, eigenvalues=evals)
1345 CALL cp_fm_release(matrix_work)