Searched refs:matrix_M1 (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | pao_param_gth.F | 244 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)
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H A D | pao_methods.F | 695 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)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | pao_param_gth.F | 244 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)
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H A D | pao_methods.F | 695 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)
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