/dports/science/InsightToolkit/ITK-5.0.1/Modules/Numerics/FEM/include/ |
H A D | itkFEMSolverHyperbolic.hxx | 91 …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()
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H A D | itkFEMSolverHyperbolic.h | 117 enum { matrix_K=1, matrix_M=2, matrix_C=3, matrix_tmp=4 }; enumerator
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | pao_param.F | 266 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)
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H A D | pao_main.F | 204 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)
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H A D | pao_methods.F | 726 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 …]
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H A D | pao_param_exp.F | 170 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)
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H A D | pao_param_linpot.F | 351 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)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | pao_main.F | 204 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)
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H A D | pao_param.F | 266 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)
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H A D | pao_methods.F | 726 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 …]
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H A D | pao_param_exp.F | 170 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)
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H A D | pao_param_linpot.F | 351 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)
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