Fork| Rev. | 日時 | 作者 |
|---|---|---|
| 730ab10 | 2014-01-05 19:03:07 | Mikiya Fujii |
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BSSE is decided to not be implemented. See src/base/atoms/ghost/README.txt #32750 |
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| f0be6da | 2014-01-05 02:28:30 | Mikiya Fujii |
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Bugs in the constructor and destructor of ghost atoms are fixed. #32750 |
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| d06b728 | 2014-01-04 20:31:01 | Mikiya Fujii |
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typo #32752 |
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| 9b831ac | 2014-01-04 19:14:15 | Mikiya Fujii |
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Bq is renamed to Ghost. #32750 |
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| 818049e | 2014-01-04 17:51:32 | Mikiya Fujii |
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Some methods which are not used actually is modified. #32750 |
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| 83d9f0a | 2014-01-04 15:56:45 | Mikiya Fujii |
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logic for ghost atoms is implemented. #32750 |
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| 31e10a3 | 2014-01-02 10:18:48 | ktns |
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Ignore temp.dat |
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| bd4bf87 | 2013-12-31 22:59:50 | mikiya_fujii |
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Bug in label of ghost atom is fixed. #32750 |
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| 5639d87 | 2013-12-31 19:28:19 | mikiya_fujii |
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Ghost atom classes are added. #32750 |
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| 82f9cbd | 2013-12-31 17:19:34 | mikiya_fujii |
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Refactring of access to Molecule::atomVect and Molecule::epcVect #32752 |
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| 0359db9 | 2013-12-30 02:35:47 | Mikiya Fujii |
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Atom::GetCoremass is used instead of Atom::GetAtomicMass in possigle place. #32750 |
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| 0c25852 | 2013-12-25 21:12:00 | Mikiya Fujii |
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ShellType variables are renamed. i.e. k -> kShell. #32677 |
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| 837c702 | 2013-12-25 20:51:01 | Mikiya Fujii |
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A small bug in zindos is fixed. This commit does not change results because the wrong argument (bug) was not used. #32679 |
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| 3422e64 svn/tags/0.3.1 | 2013-12-25 17:40:40 | Mikiya Fujii |
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Tagging the 0.3.1 of 'MolDS' project. #32676 |
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| 87a22a5 svn/fx10 | 2013-12-25 17:33:00 | Mikiya Fujii |
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Makefile_FX10 is modified in same way with Makefile and Makefile_GNU. #32655 #32094 |
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| cf93f28 | 2013-12-25 17:09:04 | Mikiya Fujii |
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trunk.r1598 is merged to fx10. This merge is related to #32650, #32655, and #32676. #32094 |
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| 08dfec8 | 2013-12-25 17:05:47 | Mikiya Fujii |
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branch/0.3.x.r1593 is 'manually' merged to trunk 'again'. This merge is related to #32650 and #32655. #32676 |
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| 73cd708 | 2013-12-25 17:03:52 | Mikiya Fujii |
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revert to r1593 |
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| 9cabb6a | 2013-12-25 17:02:00 | Mikiya Fujii |
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branch/0.3.x.r1593 is 'manually' merged to trunk. This merge is related to #32650 and #32655. #32676 |
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| c6920cf | 2013-12-25 16:53:31 | Mikiya Fujii |
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revert to r1593 |
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| 6eea8c3 | 2013-12-25 16:51:32 | Mikiya Fujii |
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branch/0.3.x.r1593 is merged to trunk. This merge is related to #32650 and #32655. #32676 |
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| 79af35d svn/0.3.x | 2013-12-25 16:17:25 | Mikiya Fujii |
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change version info #32676 |
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| ce2a8e4 | 2013-12-25 16:14:27 | Mikiya Fujii |
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A patch for test results is applied. #32655 |
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| 04c5fc5 | 2013-12-25 15:54:11 | Mikiya Fujii |
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A bug in Makefiles is fixed. #32650 |
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| 19923ea | 2013-12-25 14:19:58 | Mikiya Fujii |
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branch for small bug and patch to 0.3.0 is added. |
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| 5d63e28 | 2013-12-21 19:15:48 | Katsuhiko Nishimra |
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Exclude output binary from repository. |
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| 162da82 | 2013-12-21 19:14:35 | Katsuhiko Nishimra |
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Exclude output binary from repository. |
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| ca19512 | 2013-12-20 19:20:37 | Mikiya Fujii |
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Revert to development mode to start version 0.4.0 |
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| 4da38db svn/tags/0.3.0 | 2013-12-20 19:06:28 | Mikiya Fujii |
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Tagging the 0.3.0 of 'MolDS' project. #32641 |
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| 4ebd58c | 2013-12-20 18:57:42 | Mikiya Fujii |
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preparing tag 0.3.0. #32641 |
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