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levelshift
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Rev. 时间 作者
6304531 levelshift 2013-02-07 21:54:28 Katsuhiko Nishimra

tmp
401b320 2013-02-07 21:54:28 Katsuhiko Nishimra

tmp dsymmtest
9fc28b3 2013-02-07 21:54:28 Katsuhiko Nishimra

tmp levelshift
e13e43e 2013-02-07 21:54:28 Katsuhiko Nishimra

tmp [F,D]
f4522b4 2013-02-07 21:54:16 Katsuhiko Nishimra

Detect dsymm/cblas_dsymm routine in configure script. #28588 #30262
dfcf832 2013-02-07 21:53:48 Katsuhiko Nishimra

Implement BLAS wrapper function for dsymm routine. #30262
6fe9dc4 2013-02-07 21:37:58 Katsuhiko Nishimra

Check CC/CXX/FC environment varible. #28588
204fdd5 2013-02-05 21:27:01 Katsuhiko Nishimra

Merge trunk into branch automake. #28588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1289 1136aad2-a195-0410-b898-f5ea1d11b9d8
e6afca0 2013-02-05 21:26:58 Katsuhiko Nishimra

Check dsyrk C interface functions. #28588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1288 1136aad2-a195-0410-b898-f5ea1d11b9d8
768ab16 2013-02-05 21:26:57 Katsuhiko Nishimra

Use MKL_INT/MKL_INT64 as molds_blas_int if mkl.h is available. #28588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1287 1136aad2-a195-0410-b898-f5ea1d11b9d8
41bbf2e 2013-02-05 21:26:56 Katsuhiko Nishimra

Use MKL_INT/MKL_INT64 as molds_lapack_int if mkl.h is available. #28588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1286 1136aad2-a195-0410-b898-f5ea1d11b9d8
9221a16 2013-02-05 21:26:55 Katsuhiko Nishimra

Fix typo. #28588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1285 1136aad2-a195-0410-b898-f5ea1d11b9d8
bbc60c2 2013-02-05 21:26:52 Katsuhiko Nishimra

Check availability of boost headers. #28588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1284 1136aad2-a195-0410-b898-f5ea1d11b9d8
6ca69b9 2013-02-04 11:12:45 Mikiya Fujii

Refactored calculation of (transition) dipole moments. #30617

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1283 1136aad2-a195-0410-b898-f5ea1d11b9d8
1ea03b4 2013-02-03 17:23:22 Mikiya Fujii

Blas::Dgemmm is added. #30617

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1282 1136aad2-a195-0410-b898-f5ea1d11b9d8
9396af9 2013-02-03 16:19:32 Mikiya Fujii

Indent of Dsyrk is modified.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1281 1136aad2-a195-0410-b898-f5ea1d11b9d8
2399ddd 2013-02-03 16:10:49 Mikiya Fujii

Refactoring of Cndo2::CalcElectronicTransitionDipoleMoment to speed up. #30670

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1280 1136aad2-a195-0410-b898-f5ea1d11b9d8
db76030 2013-02-03 11:41:57 Mikiya Fujii

ZINDO/S is refactored for secure use. #30654

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1279 1136aad2-a195-0410-b898-f5ea1d11b9d8
997bf0d 2013-02-03 04:28:27 Mikiya Fujii

ZINDOS is refactored. #30654

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1278 1136aad2-a195-0410-b898-f5ea1d11b9d8
49b39e9 2013-02-01 19:38:48 Mikiya Fujii

ZindoS::CalcCISMatrix is refactored. #30654

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1276 1136aad2-a195-0410-b898-f5ea1d11b9d8
aac4608 2013-02-01 14:38:44 Mikiya Fujii

NishimotoMataga1stDeriv is refactored. #30654

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1275 1136aad2-a195-0410-b898-f5ea1d11b9d8
cfb4b84 2013-02-01 14:27:08 Mikiya Fujii

NishimotoMataga is refactored. #30654

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1274 1136aad2-a195-0410-b898-f5ea1d11b9d8
29195e8 2013-01-31 16:55:10 Katsuhiko Nishimra

Use LDFLAGS specified via the environment varibale. #30582

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1273 1136aad2-a195-0410-b898-f5ea1d11b9d8
ab4d2d6 2013-01-31 16:55:09 Katsuhiko Nishimra

Use CFLAGS specified via the environment varibale. #30583

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1272 1136aad2-a195-0410-b898-f5ea1d11b9d8
aa384e8 2013-01-31 00:16:37 Mikiya Fujii

revert to 1267 #

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1271 1136aad2-a195-0410-b898-f5ea1d11b9d8
143e654 2013-01-31 00:15:05 Mikiya Fujii

Refactoring #30617

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1270 1136aad2-a195-0410-b898-f5ea1d11b9d8
a937487 2013-01-30 17:54:18 Mikiya Fujii

totalNumberAOs is cached. #30617

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1269 1136aad2-a195-0410-b898-f5ea1d11b9d8
44e29b1 2013-01-30 09:40:21 Mikiya Fujii

revert to r1266 #30621

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1268 1136aad2-a195-0410-b898-f5ea1d11b9d8
7aeb0a0 2013-01-30 00:36:10 Mikiya Fujii

Molecule::GetTotalNumberAOs is inlined. #30621

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1267 1136aad2-a195-0410-b898-f5ea1d11b9d8
96b58a3 2013-01-29 23:55:17 Mikiya Fujii

Some bugs are fixed. #27832

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1266 1136aad2-a195-0410-b898-f5ea1d11b9d8