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Searched refs:matrix_M1 (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dpao_param_gth.F244 SUBROUTINE pao_calc_U_gth(pao, penalty, matrix_M1, matrix_G) argument
247 TYPE(dbcsr_type), OPTIONAL :: matrix_M1, matrix_G local
306 CPASSERT(PRESENT(matrix_M1))
307 … CALL dbcsr_get_block_p(matrix=matrix_M1, row=iatom, col=iatom, block=block_M1, found=found)
H A Dpao_methods.F695 TYPE(dbcsr_type) :: matrix_HB, matrix_HPS, matrix_M, matrix_M1, matrix_M1_dc, matrix_M2, & local
755 CALL dbcsr_create(matrix_M1, template=ls_scf_env%matrix_s, matrix_type="N")
758 1.0_dp, matrix_M1, filter_eps=filter_eps)
761 1.0_dp, matrix_M1, filter_eps=filter_eps)
764 1.0_dp, matrix_M1, filter_eps=filter_eps)
767 1.0_dp, matrix_M1, filter_eps=filter_eps)
770 1.0_dp, matrix_M1, filter_eps=filter_eps)
777 CALL matrix_decluster(matrix_M1_dc, matrix_M1, ls_mstruct)
887 CALL dbcsr_release(matrix_M1)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dpao_param_gth.F244 SUBROUTINE pao_calc_U_gth(pao, penalty, matrix_M1, matrix_G) argument
247 TYPE(dbcsr_type), OPTIONAL :: matrix_M1, matrix_G local
306 CPASSERT(PRESENT(matrix_M1))
307 … CALL dbcsr_get_block_p(matrix=matrix_M1, row=iatom, col=iatom, block=block_M1, found=found)
H A Dpao_methods.F695 TYPE(dbcsr_type) :: matrix_HB, matrix_HPS, matrix_M, matrix_M1, matrix_M1_dc, matrix_M2, & local
755 CALL dbcsr_create(matrix_M1, template=ls_scf_env%matrix_s, matrix_type="N")
758 1.0_dp, matrix_M1, filter_eps=filter_eps)
761 1.0_dp, matrix_M1, filter_eps=filter_eps)
764 1.0_dp, matrix_M1, filter_eps=filter_eps)
767 1.0_dp, matrix_M1, filter_eps=filter_eps)
770 1.0_dp, matrix_M1, filter_eps=filter_eps)
777 CALL matrix_decluster(matrix_M1_dc, matrix_M1, ls_mstruct)
887 CALL dbcsr_release(matrix_M1)