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tmpautomake
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6eb431d tmpautomake 2013-01-25 18:17:58 Katsuhiko Nishimra

Fix typo. #28588
9140695 2013-01-25 17:54:58 Katsuhiko Nishimra

Check availability of boost headers. #28588
20745f4 signal 2013-01-25 16:59:16 Katsuhiko Nishimra

tmp Exit when caught signal
d40657e 2013-01-25 16:56:44 Katsuhiko Nishimra

Fix ignored CFLAGS. #28588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1260 1136aad2-a195-0410-b898-f5ea1d11b9d8
12a6c65 2013-01-25 16:53:30 Katsuhiko Nishimra

Remove checks for mkl BLAS interface functions. #28588 #30566

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1259 1136aad2-a195-0410-b898-f5ea1d11b9d8
bc83626 2013-01-25 03:42:43 Katsuhiko Nishimra

Merge trunk into automake. #28588 #30566

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1258 1136aad2-a195-0410-b898-f5ea1d11b9d8
6938e00 dsyrkdensitymatrix trunk 2013-01-24 23:59:18 Katsuhiko Nishimra

Use dsyrk in CalcOrbitalElectronPopulation. #30560

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1256 1136aad2-a195-0410-b898-f5ea1d11b9d8
9d2d859 2013-01-24 23:51:28 Katsuhiko Nishimra

Added the copyright notation.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1255 1136aad2-a195-0410-b898-f5ea1d11b9d8
9cfb156 2013-01-24 23:45:42 Katsuhiko Nishimra

`make depend' generates the dependency file forcibly. #30218

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1254 1136aad2-a195-0410-b898-f5ea1d11b9d8
8f5e4b2 2013-01-24 23:11:56 Katsuhiko Nishimra

Chdir to test directory at the firt of the test script. #30584

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1253 1136aad2-a195-0410-b898-f5ea1d11b9d8
1fc350a 2013-01-24 22:45:17 Katsuhiko Nishimra

Add the missing variable. #30562

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1252 1136aad2-a195-0410-b898-f5ea1d11b9d8
ba31ce6 2013-01-24 22:41:40 Katsuhiko Nishimra

Add the argument that indicates whether the matrix is row/column-major to Dsyrk. #30562

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1251 1136aad2-a195-0410-b898-f5ea1d11b9d8
12ec103 2013-01-24 20:53:11 Katsuhiko Nishimra

Generate objfile.dep only once. #30218

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1250 1136aad2-a195-0410-b898-f5ea1d11b9d8
6bc79af 2013-01-24 20:53:10 Katsuhiko Nishimra

Use only cblas routines in BLAS wrapper. #30566

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1249 1136aad2-a195-0410-b898-f5ea1d11b9d8
c264b8f 2013-01-23 19:46:12 Katsuhiko Nishimra

Implement the wrapper function for dsyrk. #30562 #30566

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1247 1136aad2-a195-0410-b898-f5ea1d11b9d8
9aa4947 2013-01-23 07:13:31 Mikiya Fujii

Test suite is updated for #30554

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1246 1136aad2-a195-0410-b898-f5ea1d11b9d8
d611b34 2013-01-23 07:12:45 Mikiya Fujii

Output on/off of DIIS and diisError of Cndo2::DoDIIS for each SCF step. #30554

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1245 1136aad2-a195-0410-b898-f5ea1d11b9d8
03a53ba automake 2013-01-22 05:19:07 Katsuhiko Nishimra

Merge trunk into automake. #28588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1241 1136aad2-a195-0410-b898-f5ea1d11b9d8
8c7c252 2013-01-22 05:19:05 Katsuhiko Nishimra

Call boost::math::factorial in MolDS_base::Factorial if available. #30557

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1240 1136aad2-a195-0410-b898-f5ea1d11b9d8
23f9ca5 2013-01-22 05:19:03 Katsuhiko Nishimra

Check for boost/math/special_functions/factorials.hpp. #30557

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1239 1136aad2-a195-0410-b898-f5ea1d11b9d8
424b484 2013-01-22 04:26:38 Katsuhiko Nishimra

Fix typo.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1238 1136aad2-a195-0410-b898-f5ea1d11b9d8
3766d64 2013-01-22 04:26:37 Katsuhiko Nishimra

Call boost::math::factorial in MolDS_base::Factorial. #30557

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1237 1136aad2-a195-0410-b898-f5ea1d11b9d8
cd8563d 2013-01-22 00:11:44 okymmolds

Unpaired electron population at Mulliken type. #29958

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1236 1136aad2-a195-0410-b898-f5ea1d11b9d8
c20dc49 2013-01-02 04:13:16 Katsuhiko Nishimra

Revert "tmp"

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1234 1136aad2-a195-0410-b898-f5ea1d11b9d8
7f03bc5 2013-01-02 04:04:14 Katsuhiko Nishimra

tmp

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1233 1136aad2-a195-0410-b898-f5ea1d11b9d8
fe732bc 2013-01-02 04:03:29 Katsuhiko Nishimra

Generate files by autoreconf 2.69 with automake 1.11.6. #28588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1232 1136aad2-a195-0410-b898-f5ea1d11b9d8
76ce1f5 2013-01-02 04:03:28 Katsuhiko Nishimra

Fix a bug in testing -rpath flag for ld. #28588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1231 1136aad2-a195-0410-b898-f5ea1d11b9d8
e35edf2 2013-01-02 03:45:35 Katsuhiko Nishimra

Generate files by autoreconf 2.69 with automake 1.11.6. #28588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1230 1136aad2-a195-0410-b898-f5ea1d11b9d8
fadbf6c 2013-01-02 03:44:53 Katsuhiko Nishimra

Remove duplicate OpenBLAS flags from Makefile.am. #28588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1229 1136aad2-a195-0410-b898-f5ea1d11b9d8
e7fe1e0 2013-01-02 03:44:50 Katsuhiko Nishimra

Revert "Remove duplicate CPP/LDFLAGS addition. #28588"

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1228 1136aad2-a195-0410-b898-f5ea1d11b9d8