Fork| Révision | l'heure | Auteur |
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| ce95a79 svn/gdiis | 2013-08-01 21:38:11 | Katsuhiko Nishimra |
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Merge trunk into branch gdiis. #28915 |
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| 748479b | 2013-08-01 10:51:52 | Mikiya Fujii |
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Calculation of force on ground state for MNDO-series is MPI parallelized. #31814 |
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| 9e4d7cb | 2013-08-01 09:43:11 | Mikiya Fujii |
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Synchronize phase space point between all MPI-processes in MC, MD, RPMD, and opt is added. #31814 |
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| d957451 | 2013-08-01 01:26:22 | Mikiya Fujii |
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Zindo/S is added to enable theoris of excited RPMD. #31221 |
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| f682024 | 2013-07-31 20:06:38 | Mikiya Fujii |
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Calculating of forces of ZindoS is partially MPI-parallelized. #31814 |
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| 595f57b | 2013-07-31 20:05:27 | Mikiya Fujii |
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Typo |
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| 144a199 | 2013-07-31 19:52:32 | Mikiya Fujii |
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typo |
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| 431f9a2 | 2013-07-31 00:14:32 | Mikiya Fujii |
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int in wrappers::Blas is replaced with molds_blas_int. #30161 |
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| 6fe9695 | 2013-07-30 23:38:23 | Mikiya Fujii |
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bug in ldc parameter of wrappers::Blas::Dgemm is fixed. #31807 |
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| a559551 | 2013-07-26 22:43:06 | Katsuhiko Nishimra |
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Include MpiProcess.h. #28915 |
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| 4c92cdc | 2013-07-26 22:43:03 | Katsuhiko Nishimra |
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Merge trunk into branch gdiis. #28915 |
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| 82a6d97 | 2013-07-25 02:01:27 | Mikiya Fujii |
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Some methods for NASCO in Parameters-class are inlined #27279 |
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| 451edd6 | 2013-07-25 01:20:58 | Mikiya Fujii |
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Some methods for FREQ in Parameters-class are inlined #27279 |
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| a744ab4 | 2013-07-25 01:12:21 | Mikiya Fujii |
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Some methods for opt in Parameters-class are inlined #27279 |
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| 5b24fa4 | 2013-07-25 00:57:50 | Mikiya Fujii |
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Code that is commented out is deleted. #27279 |
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| e5bbe57 | 2013-07-25 00:57:04 | Mikiya Fujii |
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Some methods for RPMD in Parameters-class is inlined #27279 |
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| 0fa851d | 2013-07-25 00:46:00 | Mikiya Fujii |
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Some methods for MC in Parameters-class is inlined #27279 |
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| 2b6d99d | 2013-07-24 23:36:19 | Mikiya Fujii |
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http address for the list of test files are added to README. |
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| 05baa4b | 2013-07-24 23:31:24 | Mikiya Fujii |
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Some methods for MD in Parameters-class is inlined #27279 |
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| e150aa2 | 2013-07-24 21:47:14 | Mikiya Fujii |
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Some methods for memory limit in Parameters-class is inlined #27279 |
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| b4ea850 | 2013-07-24 21:05:41 | Mikiya Fujii |
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ParticleDensityLogger is inlined. #27279 |
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| adc88ff | 2013-07-24 21:00:40 | Mikiya Fujii |
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Typo |
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| ed93b4e | 2013-07-24 20:57:52 | Mikiya Fujii |
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HoleDensityLogger is inlined. #27279 |
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| f91b082 | 2013-07-24 18:41:34 | Mikiya Fujii |
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const is added to ElectronicStructure::GetForce. #29723 |
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| 6280f75 | 2013-07-24 16:41:41 | Mikiya Fujii |
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Explanation about NASCO in README is deleted becaues the explanation is commited by mistake. #31588 |
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| 314ab58 | 2013-07-24 16:36:28 | Mikiya Fujii |
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README is updated for MPI-parallelization. #31588 |
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| 5cf80bb | 2013-07-23 11:29:50 | Katsuhiko Nishimra |
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Avoid exceptions while deserialization of exceptions. #31730 |
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| 5f098a1 | 2013-07-23 11:29:48 | Katsuhiko Nishimra |
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Indent backtraces. #31491 |
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| cb48a7e | 2013-07-23 11:29:46 | Katsuhiko Nishimra |
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Reimplement MolDSException::Deserialization to load multiple exceptions. #31730 |
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| ed45a99 | 2013-07-23 11:29:45 | Katsuhiko Nishimra |
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Implement MolDSException::NextException. #31730 |
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