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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/test/rsp_cpp_veloci/result/
H A Drsp_veloci_CH4_cc-pVDZ.out905 ITER, IVEC: 7 1 XDIPVEL 0.4425 RESID, RESID/X:TT
906 ITER, IVEC: 7 2 XDIPVEL 0.4450 RESID, RESID/X:TT
907 ITER, IVEC: 7 3 XDIPVEL 0.4475 RESID, RESID/X:TT
908 ITER, IVEC: 7 4 XDIPVEL 0.4500 RESID, RESID/X:TT
909 ITER, IVEC: 7 5 XDIPVEL 0.4525 RESID, RESID/X:TT
910 ITER, IVEC: 7 6 XDIPVEL 0.4550 RESID, RESID/X:TT
911 ITER, IVEC: 7 7 XDIPVEL 0.4575 RESID, RESID/X:TT
912 ITER, IVEC: 7 8 XDIPVEL 0.4600 RESID, RESID/X:TT
1077 ITER, IVEC: 8 1 YDIPVEL 0.4425 RESID, RESID/X:TT
1078 ITER, IVEC: 8 2 YDIPVEL 0.4450 RESID, RESID/X:TT
[all …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/test/rsp_abslrs/result/
H A Drsp_abslrs_CH4_cc-pVDZ.out824 ITER, IVEC: 7 1 XDIPLEN 0.4425 RESID, RESID/X:TT
825 ITER, IVEC: 7 2 XDIPLEN 0.4450 RESID, RESID/X:TT
844 ITER, IVEC: 8 1 XDIPLEN 0.4425 RESID, RESID/X:TT
845 ITER, IVEC: 8 2 XDIPLEN 0.4450 RESID, RESID/X:TT
846 ITER, IVEC: 8 3 XDIPLEN 0.4475 RESID, RESID/X:TT
847 ITER, IVEC: 8 4 XDIPLEN 0.4500 RESID, RESID/X:TT
848 ITER, IVEC: 8 5 XDIPLEN 0.4525 RESID, RESID/X:TT
849 ITER, IVEC: 8 6 XDIPLEN 0.4550 RESID, RESID/X:TT
850 ITER, IVEC: 8 7 XDIPLEN 0.4575 RESID, RESID/X:TT
851 ITER, IVEC: 8 8 XDIPLEN 0.4600 RESID, RESID/X:TT
[all …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/test/prop_cpp_ecd/result/
H A Dprop_cpp_ecd_CHBrClF_3-21G.out766 ITER, IVEC: 1 1 XDIPLEN 0.0500 RESID, RESID/X: 0.4086982D+00 0.1228065D+01
767 ITER, IVEC: 1 2 XDIPLEN 0.0525 RESID, RESID/X: 0.4091169D+00 0.1228180D+01
768 ITER, IVEC: 1 3 XDIPLEN 0.0550 RESID, RESID/X: 0.4095572D+00 0.1228302D+01
769 ITER, IVEC: 1 4 XDIPLEN 0.0575 RESID, RESID/X: 0.4100191D+00 0.1228430D+01
770 ITER, IVEC: 1 5 XDIPLEN 0.0600 RESID, RESID/X: 0.4105028D+00 0.1228565D+01
771 ITER, IVEC: 2 1 XDIPLEN 0.0500 RESID, RESID/X: 0.1022297D+00 0.2911935D+00
772 ITER, IVEC: 2 2 XDIPLEN 0.0525 RESID, RESID/X: 0.1024151D+00 0.2914185D+00
773 ITER, IVEC: 2 3 XDIPLEN 0.0550 RESID, RESID/X: 0.1026104D+00 0.2916554D+00
774 ITER, IVEC: 2 4 XDIPLEN 0.0575 RESID, RESID/X: 0.1028156D+00 0.2919046D+00
775 ITER, IVEC: 2 5 XDIPLEN 0.0600 RESID, RESID/X: 0.1030309D+00 0.2921661D+00
[all …]
/dports/math/xlapack/lapack-3.10.0/TESTING/EIG/
H A Dcbdt01.f187 RESID = ZERO
193 RESID = ZERO
210 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
224 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
239 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
254 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
264 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
275 IF( RESID.NE.ZERO )
279 RESID = ( RESID / ANORM ) / ( REAL( N )*EPS )
282 RESID = ( MIN( RESID, REAL( N )*ANORM ) / ANORM ) /
[all …]
H A Ddbdt01.f180 RESID = ZERO
186 RESID = ZERO
203 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
217 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
232 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
247 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
257 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
268 IF( RESID.NE.ZERO )
272 RESID = ( RESID / ANORM ) / ( DBLE( N )*EPS )
275 RESID = ( MIN( RESID, DBLE( N )*ANORM ) / ANORM ) /
[all …]
H A Dsbdt01.f180 RESID = ZERO
186 RESID = ZERO
203 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
217 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
232 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
247 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
257 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
268 IF( RESID.NE.ZERO )
272 RESID = ( RESID / ANORM ) / ( REAL( N )*EPS )
275 RESID = ( MIN( RESID, REAL( N )*ANORM ) / ANORM ) /
[all …]
H A Dzbdt01.f187 RESID = ZERO
193 RESID = ZERO
210 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
224 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
239 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
254 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
264 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
275 IF( RESID.NE.ZERO )
279 RESID = ( RESID / ANORM ) / ( DBLE( N )*EPS )
282 RESID = ( MIN( RESID, DBLE( N )*ANORM ) / ANORM ) /
[all …]
/dports/math/xlife++/xlifepp-sources-v2.0.1-2018-05-09/ext/LAPACKBLAS/TESTING/EIG/
H A Ddbdt01.f182 RESID = ZERO
188 RESID = ZERO
205 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
219 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
234 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
249 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
259 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
270 IF( RESID.NE.ZERO )
274 RESID = ( RESID / ANORM ) / ( DBLE( N )*EPS )
277 RESID = ( MIN( RESID, DBLE( N )*ANORM ) / ANORM ) /
[all …]
H A Dsbdt01.f182 RESID = ZERO
188 RESID = ZERO
205 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
219 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
234 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
249 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
259 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
270 IF( RESID.NE.ZERO )
274 RESID = ( RESID / ANORM ) / ( REAL( N )*EPS )
277 RESID = ( MIN( RESID, REAL( N )*ANORM ) / ANORM ) /
[all …]
/dports/math/blas/lapack-3.10.0/TESTING/EIG/
H A Dcbdt01.f187 RESID = ZERO
193 RESID = ZERO
210 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
224 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
239 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
254 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
264 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
275 IF( RESID.NE.ZERO )
279 RESID = ( RESID / ANORM ) / ( REAL( N )*EPS )
282 RESID = ( MIN( RESID, REAL( N )*ANORM ) / ANORM ) /
[all …]
H A Ddbdt01.f180 RESID = ZERO
186 RESID = ZERO
203 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
217 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
232 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
247 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
257 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
268 IF( RESID.NE.ZERO )
272 RESID = ( RESID / ANORM ) / ( DBLE( N )*EPS )
275 RESID = ( MIN( RESID, DBLE( N )*ANORM ) / ANORM ) /
[all …]
H A Dsbdt01.f180 RESID = ZERO
186 RESID = ZERO
203 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
217 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
232 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
247 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
257 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
268 IF( RESID.NE.ZERO )
272 RESID = ( RESID / ANORM ) / ( REAL( N )*EPS )
275 RESID = ( MIN( RESID, REAL( N )*ANORM ) / ANORM ) /
[all …]
H A Dzbdt01.f187 RESID = ZERO
193 RESID = ZERO
210 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
224 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
239 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
254 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
264 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
275 IF( RESID.NE.ZERO )
279 RESID = ( RESID / ANORM ) / ( DBLE( N )*EPS )
282 RESID = ( MIN( RESID, DBLE( N )*ANORM ) / ANORM ) /
[all …]
/dports/math/lapack/lapack-3.10.0/TESTING/EIG/
H A Dsbdt01.f180 RESID = ZERO
186 RESID = ZERO
203 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
217 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
232 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
247 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
257 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
268 IF( RESID.NE.ZERO )
272 RESID = ( RESID / ANORM ) / ( REAL( N )*EPS )
275 RESID = ( MIN( RESID, REAL( N )*ANORM ) / ANORM ) /
[all …]
H A Dzbdt01.f187 RESID = ZERO
193 RESID = ZERO
210 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
224 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
239 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
254 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
264 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
275 IF( RESID.NE.ZERO )
279 RESID = ( RESID / ANORM ) / ( DBLE( N )*EPS )
282 RESID = ( MIN( RESID, DBLE( N )*ANORM ) / ANORM ) /
[all …]
H A Dcbdt01.f187 RESID = ZERO
193 RESID = ZERO
210 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
224 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
239 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
254 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
264 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
275 IF( RESID.NE.ZERO )
279 RESID = ( RESID / ANORM ) / ( REAL( N )*EPS )
282 RESID = ( MIN( RESID, REAL( N )*ANORM ) / ANORM ) /
[all …]
H A Ddbdt01.f180 RESID = ZERO
186 RESID = ZERO
203 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
217 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
232 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
247 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
257 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
268 IF( RESID.NE.ZERO )
272 RESID = ( RESID / ANORM ) / ( DBLE( N )*EPS )
275 RESID = ( MIN( RESID, DBLE( N )*ANORM ) / ANORM ) /
[all …]
/dports/math/lapacke/lapack-3.10.0/TESTING/EIG/
H A Dzbdt01.f187 RESID = ZERO
193 RESID = ZERO
210 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
224 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
239 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
254 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
264 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
275 IF( RESID.NE.ZERO )
279 RESID = ( RESID / ANORM ) / ( DBLE( N )*EPS )
282 RESID = ( MIN( RESID, DBLE( N )*ANORM ) / ANORM ) /
[all …]
H A Ddbdt01.f180 RESID = ZERO
186 RESID = ZERO
203 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
217 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
232 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
247 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
257 RESID = MAX( RESID, DASUM( M, WORK, 1 ) )
268 IF( RESID.NE.ZERO )
272 RESID = ( RESID / ANORM ) / ( DBLE( N )*EPS )
275 RESID = ( MIN( RESID, DBLE( N )*ANORM ) / ANORM ) /
[all …]
H A Dsbdt01.f180 RESID = ZERO
186 RESID = ZERO
203 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
217 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
232 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
247 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
257 RESID = MAX( RESID, SASUM( M, WORK, 1 ) )
268 IF( RESID.NE.ZERO )
272 RESID = ( RESID / ANORM ) / ( REAL( N )*EPS )
275 RESID = ( MIN( RESID, REAL( N )*ANORM ) / ANORM ) /
[all …]
H A Dcbdt01.f187 RESID = ZERO
193 RESID = ZERO
210 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
224 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
239 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
254 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
264 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
275 IF( RESID.NE.ZERO )
279 RESID = ( RESID / ANORM ) / ( REAL( N )*EPS )
282 RESID = ( MIN( RESID, REAL( N )*ANORM ) / ANORM ) /
[all …]
/dports/math/libflame/libflame-5.2.0/netlib-test/lapack-3.4.2/TESTING/EIG/
H A Dcbdt01.f189 RESID = ZERO
195 RESID = ZERO
212 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
226 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
241 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
256 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
266 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
277 IF( RESID.NE.ZERO )
281 RESID = ( RESID / ANORM ) / ( REAL( N )*EPS )
284 RESID = ( MIN( RESID, REAL( N )*ANORM ) / ANORM ) /
[all …]
/dports/math/libflame/libflame-5.2.0/old/lapack-test/3.4.2/EIG/
H A Dzbdt01.f189 RESID = ZERO
195 RESID = ZERO
212 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
226 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
241 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
256 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
266 RESID = MAX( RESID, DZASUM( M, WORK, 1 ) )
277 IF( RESID.NE.ZERO )
281 RESID = ( RESID / ANORM ) / ( DBLE( N )*EPS )
284 RESID = ( MIN( RESID, DBLE( N )*ANORM ) / ANORM ) /
[all …]
H A Dcbdt01.f189 RESID = ZERO
195 RESID = ZERO
212 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
226 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
241 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
256 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
266 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
277 IF( RESID.NE.ZERO )
281 RESID = ( RESID / ANORM ) / ( REAL( N )*EPS )
284 RESID = ( MIN( RESID, REAL( N )*ANORM ) / ANORM ) /
[all …]
/dports/math/libflame/libflame-5.2.0/old/lapack-test/3.5.0/EIG/
H A Dcbdt01.f189 RESID = ZERO
195 RESID = ZERO
212 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
226 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
241 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
256 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
266 RESID = MAX( RESID, SCASUM( M, WORK, 1 ) )
277 IF( RESID.NE.ZERO )
281 RESID = ( RESID / ANORM ) / ( REAL( N )*EPS )
284 RESID = ( MIN( RESID, REAL( N )*ANORM ) / ANORM ) /
[all …]

12345678910>>...109