| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/arnoldi/ |
| H A D | arnoldi_methods.F | 454 COMPLEX(${type_prec}$), DIMENSION(:, :), ALLOCATABLE :: tmp_mat, safe_mat, Q, tmp_mat1 local
466 ALLOCATE (Q(msize, msize)); ALLOCATE (tmp_mat1(msize, msize))
500 tmp_mat1(:, :) = Q(:, :)
501 …CALL ${ctype}$gemm('N', 'N', msize, msize, msize, ${cone}$, tmp_mat1, msize, tmp_mat, msize, ${cze…
505 tmp_mat1, msize)
506 …CALL ${ctype}$gemm('N', 'N', msize, msize, msize, ${cone}$, tmp_mat1, msize, tmp_mat, msize, ${cze…
531 DEALLOCATE (tmp_mat, safe_mat, Q, Qdata, tmp_mat1, work, tau, work_measure)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/arnoldi/ |
| H A D | arnoldi_methods.F | 454 COMPLEX(${type_prec}$), DIMENSION(:,:), ALLOCATABLE :: tmp_mat, safe_mat, Q, tmp_mat1 local
467 ALLOCATE(Q(msize,msize)); ALLOCATE(tmp_mat1(msize,msize))
501 tmp_mat1(:,:)=Q(:,:)
502 … CALL ${ctype}$gemm('N','N',msize,msize,msize,${cone}$,tmp_mat1,msize,tmp_mat,msize,${czero}$,&
506 tmp_mat1,msize)
507 … CALL ${ctype}$gemm('N','N',msize,msize,msize,${cone}$,tmp_mat1,msize,tmp_mat,msize,${czero}$,&
532 DEALLOCATE(tmp_mat,safe_mat,Q,Qdata,tmp_mat1,work,tau,work_measure)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/gww/ |
| H A D | do_self_lanczos.f90 | 211 REAL(kind=DP), ALLOCATABLE :: tmp_mat1(:,:),tmp_mat2(:,:) local
578 allocate(tmp_mat1(ttl(1)%numl,ttl(1)%numl))
592 ttl(ipos)%tt_mat,ttl(ipos)%numt,0.d0,tmp_mat1,ttl(ipos)%numl)
599 &tmp_mat1,vtl(ipos)%numl,0.d0,tmp_mat2,numpw)
620 ttl(ipos)%tt_mat,ttl(ipos)%numt,0.d0,tmp_mat1,ttl(ipos)%numl)
627 &tmp_mat1,vtl(ipos)%numl,0.d0,tmp_mat2,numpw)
645 deallocate(tmp_mat,tmp_mat1,tmp_mat2)
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| H A D | do_polarization_lanczos.f90 | 271 REAL(kind=DP), ALLOCATABLE :: tmp_mat1(:,:),tmp_mat2(:,:),tmp_mat3(:,:) local
650 REAL(kind=DP), ALLOCATABLE :: tmp_mat(:,:),tmp_mat1(:,:),tmp_mat2(:,:),tmp_mat3(:,:) local
771 allocate(tmp_mat1(numl,l_blk))
859 … call dgemm('T','N',numl,nsize,numt,1.d0,ttl_tmp(1,1,iv),numt,e_mat_ip,numt,0.d0,tmp_mat1,numl)
862 … call dgemm('N','N',numpw,nsize,numl,1.d0,vtl_tmp(1,1,iv),numpw,tmp_mat1,numl,0.d0,tmp_mat2,numpw)
915 deallocate(tmp_mat1,tmp_mat2,tmp_mat3)
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| H A D | polarization.f90 | 2073 REAL(kind=DP), ALLOCATABLE :: tmp_mat1(:,:), tmp_mat2(:,:) local
2101 allocate(tmp_mat1(uu%nums_occ(1),uu%nums_occ(1)), tmp_mat2(uu%nums_occ(1),uu%nums_occ(1)))
2103 tmp_mat1(1:uu%nums_occ(1),1:uu%nums_occ(1))=dble(uu%umat(1:uu%nums_occ(1),1:uu%nums_occ(1),1))
2110 …uu%nums_occ(1),uu%nums_occ(1),uu%nums_occ(1),1.d0,tmp_mat2,uu%nums_occ(1),tmp_mat1,uu%nums_occ(1),&
2112 deallocate(tmp_mat1,tmp_mat2)
2123 allocate(tmp_mat1(nums_cond,nums_cond), tmp_mat2(nums_cond,nums_cond))
2125 …tmp_mat1(1:nums_cond,1:nums_cond)=dble(uu%umat(uu%nums_occ(1)+1:uu%nums,uu%nums_occ(1)+1:uu%nums,1…
2132 call dgemm('T','N',nums_cond,nums_cond,nums_cond,1.d0,tmp_mat2,nums_cond,tmp_mat1,nums_cond,&
2134 deallocate(tmp_mat1,tmp_mat2)
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| H A D | do_self_lanczos_full.f90 | 69 REAL(kind=DP), ALLOCATABLE :: tmp_mat1(:,:),tmp_mat2(:,:) local
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| H A D | do_self_lanczos_time.f90 | 154 REAL(kind=DP), ALLOCATABLE :: tmp_mat(:,:),tmp_mat1(:,:),tmp_mat2(:,:) local
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| /dports/biology/gemma/GEMMA-0.98.3/src/ |
| H A D | vc.cpp | 1320 gsl_matrix *tmp_mat1 = gsl_matrix_alloc(n_vc, n_vc); in CalcVCss() local
1413 tmp_mat1); in CalcVCss()
1414 gsl_blas_dgemm(CblasNoTrans, CblasTrans, 1.0, tmp_mat1, tmp_mat, 0.0, in CalcVCss()
1487 gsl_matrix_free(tmp_mat1); in CalcVCss()
2748 gsl_matrix *tmp_mat1 = gsl_matrix_alloc(n_vc, n_vc); in CalcCIss() local
2903 tmp_mat1); in CalcCIss()
2904 gsl_blas_dgemm(CblasNoTrans, CblasTrans, 1.0, tmp_mat1, tmp_mat, 0.0, in CalcCIss()
2953 gsl_matrix_free(tmp_mat1); in CalcCIss()
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