/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/geom/ |
H A D | geom_input.F | 4595 DEGNR2=(ABS(EIG(2)-EIG(1)).LT.TENM04).OR. 4596 1 (ABS(EIG(2)-EIG(3)).LT.TENM04) 4597 DEGNR3=(ABS(EIG(2)-EIG(1)).LT.TENM04).AND. 4598 1 (ABS(EIG(2)-EIG(3)).LT.TENM04) 6193 EIG(1)=-EIG(1) 6194 EIG(2)=-EIG(2) 6195 EIG(3)=-EIG(3) 6204 IF( ABS(EIG(1)-EIG(2)).GT.CONV) GO TO 60 6206 EIG(1) = EIG(2) 6214 60 IF( ABS(EIG(2)-EIG(3)).GT.CONV) GO TO 80 [all …]
|
/dports/science/nwchem-data/nwchem-7.0.2-release/src/geom/ |
H A D | geom_input.F | 4595 DEGNR2=(ABS(EIG(2)-EIG(1)).LT.TENM04).OR. 4596 1 (ABS(EIG(2)-EIG(3)).LT.TENM04) 4597 DEGNR3=(ABS(EIG(2)-EIG(1)).LT.TENM04).AND. 4598 1 (ABS(EIG(2)-EIG(3)).LT.TENM04) 6193 EIG(1)=-EIG(1) 6194 EIG(2)=-EIG(2) 6195 EIG(3)=-EIG(3) 6204 IF( ABS(EIG(1)-EIG(2)).GT.CONV) GO TO 60 6206 EIG(1) = EIG(2) 6214 60 IF( ABS(EIG(2)-EIG(3)).GT.CONV) GO TO 80 [all …]
|
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/gp/ |
H A D | gpsaue.F | 290 SUBROUTINE QDIAG(NZ,N,A,LRA,LCA,EIG,MATZ,VEC,LRV,LCV, 343 CALL QHTRID(A,N,LRA,LCA,EIG, 347 CALL HTRIDI(LRA,N,A(1,1,1),A(1,1,2),EIG, 352 CALL TRED1(LRA,N,A(1,1,1),EIG,WORK(KFV1),WORK(KFV2)) 354 CALL TRED2(LRA,N,A(1,1,1),EIG,WORK(KFV1),VEC(1,1,1)) 364 CALL TQLRAT(N,EIG,WORK(KFV2),IERR) 377 CALL TQL2(LRV,N,EIG,WORK(KFV1),VEC(1,1,1),IERR) 1502 DIMENSION AMAT(*),EIG(NDIM),EVEC(LDM,NDIM), 1543 CALL XTRCDI(WORK(KATRI),EIG,NDIM,1) 1557 CALL XTRCDI(AMAT,EIG,NDIM,1) [all …]
|
/dports/science/wannier90/wannier90-3.1.0/test-suite/library-mode-test/ |
H A D | README | 2 2. I run it (important to have the devel_flag inside!) to create the AMN, EIG and MMN files. The ot…
|
/dports/science/berkeleygw/BGW-2.0.0/MeanField/SIESTA/ |
H A D | README | 7 file, eigenvalues from SystemLabel.EIG file, wavefunctions in R-space 55 are read from ammonia.XV, ammonia.KP, ammonia.EIG and ammonia.WF$n.cube
|
/dports/math/octave/octave-6.4.0/liboctave/numeric/ |
H A D | module.mk | 20 %reldir%/EIG.h \ 71 %reldir%/EIG.cc \
|
/dports/math/xlapack/lapack-3.10.0/ |
H A D | .gitignore | 27 TESTING/EIG/xeigtst*
|
/dports/math/blas/lapack-3.10.0/ |
H A D | .gitignore | 27 TESTING/EIG/xeigtst*
|
/dports/math/lapacke/lapack-3.10.0/ |
H A D | .gitignore | 27 TESTING/EIG/xeigtst*
|
/dports/math/lapack/lapack-3.10.0/ |
H A D | .gitignore | 27 TESTING/EIG/xeigtst*
|
/dports/math/openblas/OpenBLAS-0.3.18/lapack-netlib/ |
H A D | .gitignore | 27 TESTING/EIG/xeigtst*
|
/dports/math/cblas/lapack-3.10.0/ |
H A D | .gitignore | 27 TESTING/EIG/xeigtst*
|
/dports/math/libflame/libflame-5.2.0/old/lapack-test/3.5.0/ |
H A D | Makefile | 560 cd EIG ; $(MAKE) single 563 cd EIG ; $(MAKE) complex 566 cd EIG ; $(MAKE) double 569 cd EIG ; $(MAKE) complex16 576 (cd EIG; make clean)
|
/dports/math/libflame/libflame-5.2.0/old/lapack-test/3.4.2/ |
H A D | Makefile | 560 cd EIG ; $(MAKE) single 563 cd EIG ; $(MAKE) complex 566 cd EIG ; $(MAKE) double 569 cd EIG ; $(MAKE) complex16 576 (cd EIG; make clean)
|
/dports/science/nwchem-data/nwchem-7.0.2-release/src/lucia/ |
H A D | lucia3.F | 916 & ( EIG(1,IROOT)+EIGSHF,IROOT=1,NROOT) 920 CALL WRTMAT(EIG(1,1),1,NROOT,MAXIT,NROOT) 944 EIGAPR = EIG(ITER-1,IROOT) 948 EIGAPR = EIG(ITER-1,IROOT) 977 & ABS(EIG(ITER-2,IROOT)-EIG(ITER-1,IROOT)).LT.E_CONV)) THEN 1161 & ( EIG(ITER,IROOT)+EIGSHF,IROOT=1,NROOT) 1246 FINEIG(IROOT) = EIG(ITER,IROOT) + EIGSHF 5383 & ( EIG(1,IROOT)+EIGSHF,IROOT=1,NROOT) 5415 APROJ(IROOT*(IROOT+1)/2) = EIG(1,IROOT) 5457 EIGAPR = EIG(ITER-1,IROOT) [all …]
|
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/lucia/ |
H A D | lucia3.F | 916 & ( EIG(1,IROOT)+EIGSHF,IROOT=1,NROOT) 920 CALL WRTMAT(EIG(1,1),1,NROOT,MAXIT,NROOT) 944 EIGAPR = EIG(ITER-1,IROOT) 948 EIGAPR = EIG(ITER-1,IROOT) 977 & ABS(EIG(ITER-2,IROOT)-EIG(ITER-1,IROOT)).LT.E_CONV)) THEN 1161 & ( EIG(ITER,IROOT)+EIGSHF,IROOT=1,NROOT) 1246 FINEIG(IROOT) = EIG(ITER,IROOT) + EIGSHF 5383 & ( EIG(1,IROOT)+EIGSHF,IROOT=1,NROOT) 5415 APROJ(IROOT*(IROOT+1)/2) = EIG(1,IROOT) 5457 EIGAPR = EIG(ITER-1,IROOT) [all …]
|
/dports/multimedia/mkvtoolnix/mkvtoolnix-65.0.0/packaging/windows/installer/translations/ |
H A D | Basque.nsh | 11 !insertmacro LANG_STRING STRING_REMOVE_JOB_FILES_QUESTION "EIG-k sortutako lan agiriak ere ezabatu …
|
/dports/math/suitesparse-klu/SuiteSparse-5.10.1/GraphBLAS/GraphBLAS/@GrB/ |
H A D | eig.m | 2 %EIG Eigenvalues and eigenvectors of a GraphBLAS matrix.
|
/dports/math/suitesparse-config/SuiteSparse-5.10.1/GraphBLAS/GraphBLAS/@GrB/ |
H A D | eig.m | 2 %EIG Eigenvalues and eigenvectors of a GraphBLAS matrix.
|
/dports/math/suitesparse-btf/SuiteSparse-5.10.1/GraphBLAS/GraphBLAS/@GrB/ |
H A D | eig.m | 2 %EIG Eigenvalues and eigenvectors of a GraphBLAS matrix.
|
/dports/math/suitesparse-amd/SuiteSparse-5.10.1/GraphBLAS/GraphBLAS/@GrB/ |
H A D | eig.m | 2 %EIG Eigenvalues and eigenvectors of a GraphBLAS matrix.
|
/dports/math/suitesparse-mongoose/SuiteSparse-5.10.1/GraphBLAS/GraphBLAS/@GrB/ |
H A D | eig.m | 2 %EIG Eigenvalues and eigenvectors of a GraphBLAS matrix.
|
/dports/math/suitesparse-rbio/SuiteSparse-5.10.1/GraphBLAS/GraphBLAS/@GrB/ |
H A D | eig.m | 2 %EIG Eigenvalues and eigenvectors of a GraphBLAS matrix.
|
/dports/math/suitesparse-ldl/SuiteSparse-5.10.1/GraphBLAS/GraphBLAS/@GrB/ |
H A D | eig.m | 2 %EIG Eigenvalues and eigenvectors of a GraphBLAS matrix.
|
/dports/math/suitesparse-cholmod/SuiteSparse-5.10.1/GraphBLAS/GraphBLAS/@GrB/ |
H A D | eig.m | 2 %EIG Eigenvalues and eigenvectors of a GraphBLAS matrix.
|