Searched refs:matrix_work (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | dm_ls_scf_curvy.F | 741 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)
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H A D | qs_pdos.F | 186 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)
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H A D | mp2_ri_libint.F | 1323 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)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | dm_ls_scf_curvy.F | 741 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)
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H A D | qs_pdos.F | 186 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)
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H A D | mp2_ri_libint.F | 1323 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)
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