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Searched refs:matrix_M (Results 1 – 12 of 12) sorted by relevance

/dports/science/InsightToolkit/ITK-5.0.1/Modules/Numerics/FEM/include/
H A DitkFEMSolverHyperbolic.hxx91 …arSystem->AddMatrixValue( e->GetDegreeOfFreedom(j), e->GetDegreeOfFreedom(k), Me[j][k], matrix_M ); in AssembleElementMatrix()
106 this->m_LinearSystem->InitializeMatrix(matrix_M); in InitializeMatrixForAssembly()
121 this->ApplyBC(0,matrix_M); in FinalizeMatrixAfterAssembly()
130 this->m_LinearSystem->CopyMatrix(matrix_M,0); in FinalizeMatrixAfterAssembly()
H A DitkFEMSolverHyperbolic.h117 enum { matrix_K=1, matrix_M=2, matrix_C=3, matrix_tmp=4 }; enumerator
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dpao_param.F266 SUBROUTINE pao_calc_U(pao, qs_env, matrix_M, matrix_G, penalty, forces) argument
269 TYPE(dbcsr_type), OPTIONAL :: matrix_M, matrix_G local
283 CALL pao_calc_U_exp(pao, matrix_M, matrix_G)
285 CALL pao_calc_U_linpot(pao, qs_env, penalty, matrix_M, matrix_G, forces)
287 CALL pao_calc_U_gth(pao, penalty, matrix_M, matrix_G)
H A Dpao_main.F204 TYPE(dbcsr_type) :: matrix_M, matrix_X_mixing local
259 CALL pao_calc_outer_grad_lnv(qs_env, ls_scf_env, matrix_M)
260 CALL pao_calc_U(pao, qs_env, matrix_M=matrix_M, matrix_G=pao%matrix_G, penalty=penalty)
261 CALL dbcsr_release(matrix_M)
H A Dpao_methods.F726 CALL dbcsr_create(matrix_M, template=matrix_s(1)%matrix, matrix_type="N")
727 CALL dbcsr_reserve_diag_blocks(matrix_M)
829 1.0_dp, matrix_M, filter_eps=filter_eps)
846 1.0_dp, matrix_M, filter_eps=filter_eps)
865 1.0_dp, matrix_M, filter_eps=filter_eps)
867 IF (SIZE(ls_scf_env%matrix_p) == 1) CALL dbcsr_scale(matrix_M, 2.0_dp)
877 CALL dbcsr_complete_redistribute(matrix_M, matrix_M_diag)
886 CALL dbcsr_release(matrix_M)
1197 TYPE(dbcsr_type) :: matrix_M local
1222 CALL pao_calc_outer_grad_lnv(qs_env, ls_scf_env, matrix_M)
[all …]
H A Dpao_param_exp.F170 SUBROUTINE pao_calc_U_exp(pao, matrix_M, matrix_G) argument
172 TYPE(dbcsr_type), OPTIONAL :: matrix_M, matrix_G local
236 CPASSERT(PRESENT(matrix_M))
240 … CALL dbcsr_get_block_p(matrix=matrix_M, row=iatom, col=iatom, block=block_M, found=found)
H A Dpao_param_linpot.F351 SUBROUTINE pao_calc_U_linpot(pao, qs_env, penalty, matrix_M, matrix_G, forces) argument
355 TYPE(dbcsr_type), OPTIONAL :: matrix_M, matrix_G local
375 CPASSERT(PRESENT(matrix_G) .EQV. PRESENT(matrix_M))
418 … CALL dbcsr_get_block_p(matrix=matrix_M, row=iatom, col=iatom, block=block_M1, found=found)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dpao_main.F204 TYPE(dbcsr_type) :: matrix_M, matrix_X_mixing local
259 CALL pao_calc_outer_grad_lnv(qs_env, ls_scf_env, matrix_M)
260 CALL pao_calc_U(pao, qs_env, matrix_M=matrix_M, matrix_G=pao%matrix_G, penalty=penalty)
261 CALL dbcsr_release(matrix_M)
H A Dpao_param.F266 SUBROUTINE pao_calc_U(pao, qs_env, matrix_M, matrix_G, penalty, forces) argument
269 TYPE(dbcsr_type), OPTIONAL :: matrix_M, matrix_G local
283 CALL pao_calc_U_exp(pao, matrix_M, matrix_G)
285 CALL pao_calc_U_linpot(pao, qs_env, penalty, matrix_M, matrix_G, forces)
287 CALL pao_calc_U_gth(pao, penalty, matrix_M, matrix_G)
H A Dpao_methods.F726 CALL dbcsr_create(matrix_M, template=matrix_s(1)%matrix, matrix_type="N")
727 CALL dbcsr_reserve_diag_blocks(matrix_M)
829 1.0_dp, matrix_M, filter_eps=filter_eps)
846 1.0_dp, matrix_M, filter_eps=filter_eps)
865 1.0_dp, matrix_M, filter_eps=filter_eps)
867 IF (SIZE(ls_scf_env%matrix_p) == 1) CALL dbcsr_scale(matrix_M, 2.0_dp)
877 CALL dbcsr_complete_redistribute(matrix_M, matrix_M_diag)
886 CALL dbcsr_release(matrix_M)
1197 TYPE(dbcsr_type) :: matrix_M local
1222 CALL pao_calc_outer_grad_lnv(qs_env, ls_scf_env, matrix_M)
[all …]
H A Dpao_param_exp.F170 SUBROUTINE pao_calc_U_exp(pao, matrix_M, matrix_G) argument
172 TYPE(dbcsr_type), OPTIONAL :: matrix_M, matrix_G local
236 CPASSERT(PRESENT(matrix_M))
240 … CALL dbcsr_get_block_p(matrix=matrix_M, row=iatom, col=iatom, block=block_M, found=found)
H A Dpao_param_linpot.F351 SUBROUTINE pao_calc_U_linpot(pao, qs_env, penalty, matrix_M, matrix_G, forces) argument
355 TYPE(dbcsr_type), OPTIONAL :: matrix_M, matrix_G local
375 CPASSERT(PRESENT(matrix_G) .EQV. PRESENT(matrix_M))
418 … CALL dbcsr_get_block_p(matrix=matrix_M, row=iatom, col=iatom, block=block_M1, found=found)