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svn/refactor_opt 397595b 2014-05-26 16:00:22 Katsuhiko Nishimra

Merge trunk into refactor_opt. #32881 git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/refactor_opt@1676 1136aad2-a195-0410-b898-f5ea1d11b9d8

svn/trunk cd6f752 2014-05-26 15:58:58 Katsuhiko Nishimra

Use current force to check convergence. #32906 git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1675 1136aad2-a195-0410-b898-f5ea1d11b9d8

svn/automake 50e2853 2014-05-22 16:20:51 Katsuhiko Nishimra

Merge trunk into branch automake. #28588 git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1671 1136aad2-a195-0410-b898-f5ea1d11b9d8

svn/shared_ptr ca0efff 2014-01-09 18:09:42 ktns

Create branch shared_ptr git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/shared_ptr@1625 1136aad2-a195-0410-b898-f5ea1d11b9d8

svn/tags/0.3.1 3422e64 2013-12-25 17:40:40 Mikiya Fujii

Tagging the 0.3.1 of 'MolDS' project. #32676 git-svn-id: https://svn.sourceforge.jp/svnroot/molds/tags/0.3.1@1601 1136aad2-a195-0410-b898-f5ea1d11b9d8

svn/fx10 87a22a5 2013-12-25 17:33:00 Mikiya Fujii

Makefile_FX10 is modified in same way with Makefile and Makefile_GNU. #32655 #32094 git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/fx10@1600 ...
svn/0.3.x 79af35d 2013-12-25 16:17:25 Mikiya Fujii

change version info #32676 git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/0.3.x@1593 1136aad2-a195-0410-b898-f5ea1d11b9d8

svn/tags/0.3.0 4da38db 2013-12-20 19:06:28 Mikiya Fujii

Tagging the 0.3.0 of 'MolDS' project. #32641 git-svn-id: https://svn.sourceforge.jp/svnroot/molds/tags/0.3.0@1586 1136aad2-a195-0410-b898-f5ea1d11b9d8

svn/scalapack 4921135 2013-08-28 16:04:40 Mikiya Fujii

Initialization of scalapack and blacs is changed. #31916 git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/scalapack@1513 1136aad2-a195-0410-b89...
svn/gdiis ce95a79 2013-08-01 21:38:11 Katsuhiko Nishimra

Merge trunk into branch gdiis. #28915 git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/gdiis@1452 1136aad2-a195-0410-b898-f5ea1d11b9d8

svn/mpi-cis e11f00f 2013-07-12 20:01:34 Mikiya Fujii

Merge trunk into branch mpi-cis. #31588 git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/mpi-cis@1393 1136aad2-a195-0410-b898-f5ea1d11b9d8

kvpair_exception a3ebb27 2013-07-03 22:21:36 Katsuhiko Nishimra

Don't take DIIS step if DIIS matrix is singular. #30595

svn/authors 519288f 2013-03-13 12:02:49 Katsuhiko Nishimra

Add subversion to git author map file.

levelshift 6304531 2013-02-07 21:54:28 Katsuhiko Nishimra

tmp

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

Fix typo. #28588

signal 20745f4 2013-01-25 16:59:16 Katsuhiko Nishimra

tmp Exit when caught signal

tmpstash fc92741 2013-01-25 16:30:17 Katsuhiko Nishimra

WIP on automakel: e1d308e Merge trunk into automake. #28588 #30566

bfgsscflog ea3d53f 2013-01-25 15:25:48 Katsuhiko Nishimra

tmp BFGS output SCF log

dsyrkdensitymatrix 6938e00 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

trunk 6938e00 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

flags 01517b6 2013-01-24 21:09:08 Katsuhiko Nishimra

tmp Use LDFLAGS specified via the environment varibale. #30582

gdiis d5d163b 2013-01-24 14:03:51 Katsuhiko Nishimra

Merge trunk into branch gdiis. #28915 git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/gdiis@1248 1136aad2-a195-0410-b898-f5ea1d11b9d8

dsyrkstash 1d8136b 2013-01-22 20:38:52 Katsuhiko Nishimra

WIP on gdiisl: 7d2b4b1 tmp BFGS output SCF log

automake 03a53ba 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

factorial a5ee687 2013-01-22 04:15:56 Katsuhiko Nishimra

Fix typo.

ax_blas_orig 9e5319c 2012-12-19 04:45:29 Katsuhiko Nishimra

Downloaded latest version of ax_blas.m4. #28588 see http://www.gnu.org/software/autoconf-archive/ax_blas.html.

svn/tags/0.2.0 3b00613 2012-11-30 04:03:11 Mikiya Fujii

Tagging the 0.2.0 git-svn-id: https://svn.sourceforge.jp/svnroot/molds/tags/0.2.0@1157 1136aad2-a195-0410-b898-f5ea1d11b9d8

tags/0.2.0 3b00613 2012-11-30 04:03:11 Mikiya Fujii

Tagging the 0.2.0 git-svn-id: https://svn.sourceforge.jp/svnroot/molds/tags/0.2.0@1157 1136aad2-a195-0410-b898-f5ea1d11b9d8

gdiis-tmp 57956c5 2012-11-28 13:40:12 Katsuhiko Nishimra

tmp

lapack c608ceb 2012-06-05 23:44:54 Katsuhiko Nishimra

Create new branch `lapack'. #28645 git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/lapack@718 1136aad2-a195-0410-b898-f5ea1d11b9d8

svn/lapack c608ceb 2012-06-05 23:44:54 Katsuhiko Nishimra

Create new branch `lapack'. #28645 git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/lapack@718 1136aad2-a195-0410-b898-f5ea1d11b9d8

svn/tags/0.1.0 595dca1 2012-05-30 18:24:50 Mikiya Fujii

svnroot/molds/MolDS/tags is moved to molds/tags git-svn-id: https://svn.sourceforge.jp/svnroot/molds/tags/0.1.0@654 1136aad2-a195-0410-b898-f5ea1d11b9d8

tags/0.1.0 595dca1 2012-05-30 18:24:50 Mikiya Fujii

svnroot/molds/MolDS/tags is moved to molds/tags git-svn-id: https://svn.sourceforge.jp/svnroot/molds/tags/0.1.0@654 1136aad2-a195-0410-b898-f5ea1d11b9d8