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Searched refs:EIG (Results 76 – 100 of 258) sorted by relevance

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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/geom/
H A Dgeom_input.F4595 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 Dgeom_input.F4595 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 Dgpsaue.F290 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 DREADME2 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 DREADME7 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 Dmodule.mk20 %reldir%/EIG.h \
71 %reldir%/EIG.cc \
/dports/math/xlapack/lapack-3.10.0/
H A D.gitignore27 TESTING/EIG/xeigtst*
/dports/math/blas/lapack-3.10.0/
H A D.gitignore27 TESTING/EIG/xeigtst*
/dports/math/lapacke/lapack-3.10.0/
H A D.gitignore27 TESTING/EIG/xeigtst*
/dports/math/lapack/lapack-3.10.0/
H A D.gitignore27 TESTING/EIG/xeigtst*
/dports/math/openblas/OpenBLAS-0.3.18/lapack-netlib/
H A D.gitignore27 TESTING/EIG/xeigtst*
/dports/math/cblas/lapack-3.10.0/
H A D.gitignore27 TESTING/EIG/xeigtst*
/dports/math/libflame/libflame-5.2.0/old/lapack-test/3.5.0/
H A DMakefile560 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 DMakefile560 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 Dlucia3.F916 & ( 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 Dlucia3.F916 & ( 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 DBasque.nsh11 !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 Deig.m2 %EIG Eigenvalues and eigenvectors of a GraphBLAS matrix.
/dports/math/suitesparse-config/SuiteSparse-5.10.1/GraphBLAS/GraphBLAS/@GrB/
H A Deig.m2 %EIG Eigenvalues and eigenvectors of a GraphBLAS matrix.
/dports/math/suitesparse-btf/SuiteSparse-5.10.1/GraphBLAS/GraphBLAS/@GrB/
H A Deig.m2 %EIG Eigenvalues and eigenvectors of a GraphBLAS matrix.
/dports/math/suitesparse-amd/SuiteSparse-5.10.1/GraphBLAS/GraphBLAS/@GrB/
H A Deig.m2 %EIG Eigenvalues and eigenvectors of a GraphBLAS matrix.
/dports/math/suitesparse-mongoose/SuiteSparse-5.10.1/GraphBLAS/GraphBLAS/@GrB/
H A Deig.m2 %EIG Eigenvalues and eigenvectors of a GraphBLAS matrix.
/dports/math/suitesparse-rbio/SuiteSparse-5.10.1/GraphBLAS/GraphBLAS/@GrB/
H A Deig.m2 %EIG Eigenvalues and eigenvectors of a GraphBLAS matrix.
/dports/math/suitesparse-ldl/SuiteSparse-5.10.1/GraphBLAS/GraphBLAS/@GrB/
H A Deig.m2 %EIG Eigenvalues and eigenvectors of a GraphBLAS matrix.
/dports/math/suitesparse-cholmod/SuiteSparse-5.10.1/GraphBLAS/GraphBLAS/@GrB/
H A Deig.m2 %EIG Eigenvalues and eigenvectors of a GraphBLAS matrix.

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