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4c7e813 2013-07-26 17:57:10 Katsuhiko Nishimra

Downloaded latest version of ax_boost_serialization.m4. #28588

see http://www.gnu.org/software/autoconf-archive/ax_boost_serialization.html.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1434 1136aad2-a195-0410-b898-f5ea1d11b9d8

6b3b068 2013-07-26 17:57:08 Katsuhiko Nishimra

Check for MPI compiler. #28588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1433 1136aad2-a195-0410-b898-f5ea1d11b9d8

9c45bcb 2013-07-26 17:57:07 Katsuhiko Nishimra

Downloaded latest version of ax_mpi.m4. #28588

see http://www.gnu.org/software/autoconf-archive/ax_mpi.html.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1432 1136aad2-a195-0410-b898-f5ea1d11b9d8

47cffec 2013-07-26 17:57:05 Katsuhiko Nishimra

Update source file list. #28588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1431 1136aad2-a195-0410-b898-f5ea1d11b9d8

82a6d97 2013-07-25 02:01:27 Mikiya Fujii

Some methods for NASCO in Parameters-class are inlined #27279

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1430 1136aad2-a195-0410-b898-f5ea1d11b9d8

451edd6 2013-07-25 01:20:58 Mikiya Fujii

Some methods for FREQ in Parameters-class are inlined #27279

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1429 1136aad2-a195-0410-b898-f5ea1d11b9d8

a744ab4 2013-07-25 01:12:21 Mikiya Fujii

Some methods for opt in Parameters-class are inlined #27279

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1428 1136aad2-a195-0410-b898-f5ea1d11b9d8

5b24fa4 2013-07-25 00:57:50 Mikiya Fujii

Code that is commented out is deleted. #27279

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1427 1136aad2-a195-0410-b898-f5ea1d11b9d8

e5bbe57 2013-07-25 00:57:04 Mikiya Fujii

Some methods for RPMD in Parameters-class is inlined #27279

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1426 1136aad2-a195-0410-b898-f5ea1d11b9d8

0fa851d 2013-07-25 00:46:00 Mikiya Fujii

Some methods for MC in Parameters-class is inlined #27279

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1425 1136aad2-a195-0410-b898-f5ea1d11b9d8

2b6d99d 2013-07-24 23:36:19 Mikiya Fujii

http address for the list of test files are added to README.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1424 1136aad2-a195-0410-b898-f5ea1d11b9d8

05baa4b 2013-07-24 23:31:24 Mikiya Fujii

Some methods for MD in Parameters-class is inlined #27279

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1423 1136aad2-a195-0410-b898-f5ea1d11b9d8

e150aa2 2013-07-24 21:47:14 Mikiya Fujii

Some methods for memory limit in Parameters-class is inlined #27279

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1422 1136aad2-a195-0410-b898-f5ea1d11b9d8

b4ea850 2013-07-24 21:05:41 Mikiya Fujii

ParticleDensityLogger is inlined. #27279

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1421 1136aad2-a195-0410-b898-f5ea1d11b9d8

adc88ff 2013-07-24 21:00:40 Mikiya Fujii

Typo

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1420 1136aad2-a195-0410-b898-f5ea1d11b9d8

ed93b4e 2013-07-24 20:57:52 Mikiya Fujii

HoleDensityLogger is inlined. #27279

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1419 1136aad2-a195-0410-b898-f5ea1d11b9d8

f91b082 2013-07-24 18:41:34 Mikiya Fujii

const is added to ElectronicStructure::GetForce. #29723

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1418 1136aad2-a195-0410-b898-f5ea1d11b9d8

6280f75 2013-07-24 16:41:41 Mikiya Fujii

Explanation about NASCO in README is deleted becaues the explanation is commited by mistake. #31588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1417 1136aad2-a195-0410-b898-f5ea1d11b9d8

314ab58 2013-07-24 16:36:28 Mikiya Fujii

README is updated for MPI-parallelization. #31588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1416 1136aad2-a195-0410-b898-f5ea1d11b9d8

5cf80bb 2013-07-23 11:29:50 Katsuhiko Nishimra

Avoid exceptions while deserialization of exceptions. #31730

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1415 1136aad2-a195-0410-b898-f5ea1d11b9d8

5f098a1 2013-07-23 11:29:48 Katsuhiko Nishimra

Indent backtraces. #31491

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1414 1136aad2-a195-0410-b898-f5ea1d11b9d8

cb48a7e 2013-07-23 11:29:46 Katsuhiko Nishimra

Reimplement MolDSException::Deserialization to load multiple exceptions. #31730

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1413 1136aad2-a195-0410-b898-f5ea1d11b9d8

ed45a99 2013-07-23 11:29:45 Katsuhiko Nishimra

Implement MolDSException::NextException. #31730

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1412 1136aad2-a195-0410-b898-f5ea1d11b9d8

416c94f 2013-07-18 19:24:38 Katsuhiko Nishimra

Fix forgotten initialization. #31716

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1411 1136aad2-a195-0410-b898-f5ea1d11b9d8

9694fe6 2013-07-18 16:37:54 Katsuhiko Nishimra

Add "this->" in order to follow the coding convention.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1410 1136aad2-a195-0410-b898-f5ea1d11b9d8

fe81d1e 2013-07-18 16:10:01 Katsuhiko Nishimra

Add a linebreak after error description. #31712

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1409 1136aad2-a195-0410-b898-f5ea1d11b9d8

fb5bb12 2013-07-18 16:09:58 Katsuhiko Nishimra

Integrate backtrace in MolDSException::what(). #31491

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1408 1136aad2-a195-0410-b898-f5ea1d11b9d8

7dfd83a 2013-07-18 15:53:10 Katsuhiko Nishimra

Remove debug codes. #31716

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1407 1136aad2-a195-0410-b898-f5ea1d11b9d8

5d48bc0 2013-07-18 12:14:07 Katsuhiko Nishimra

Use MolDSException::Seriliarize/Desirialize to pass exceptions out of OpenMP loops. #31716

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1406 1136aad2-a195-0410-b898-f5ea1d11b9d8

f2acbd0 2013-07-18 12:14:05 Katsuhiko Nishimra

Reimplement the serializer for MolDSException using save/load_construct_data. #31716

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1405 1136aad2-a195-0410-b898-f5ea1d11b9d8