Rev. | Zeit | Autor |
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ad155ca | 2010-12-11 17:23:01 | Mikiya Fujii |
typo |
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b60460d | 2010-12-11 16:56:59 | Mikiya Fujii |
typo |
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278275a | 2010-12-09 12:43:18 | Mikiya Fujii |
README.txt is added. |
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c5ef493 | 2010-12-09 12:38:53 | Mikiya Fujii |
Core and Exchnge integral for INDO and ZINDO are moved from Atom class to INDO and ZINDOS class, respectively. |
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6ec22e8 | 2010-12-08 22:39:48 | Mikiya Fujii |
References for ZINDOS are parcially aded. |
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daa960e | 2010-12-08 22:38:52 | Mikiya Fujii |
comment is added. |
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5d7e889 | 2010-12-08 22:32:05 | Mikiya Fujii |
Logic of core integrals for ZINDO is added. |
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d26cc3b | 2010-12-08 17:16:30 | Mikiya Fujii |
Modification for zindo is carried out. |
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46d92a1 | 2010-12-08 16:52:35 | Mikiya Fujii |
theory type is added. |
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8b77843 | 2010-12-08 16:00:43 | Mikiya Fujii |
zindo directroy is added. |
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76ec3a8 | 2010-11-29 12:30:17 | Mikiya Fujii |
Effective nuclear charge for 3d is created. |
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11b00c7 | 2010-11-29 09:58:32 | Mikiya Fujii |
Method for checking number of valence electrons is created. |
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e886bf6 | 2010-11-28 12:27:54 | Mikiya Fujii |
Enable atoms for cndo2 and indo are checked. |
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87da00b | 2010-11-28 11:23:12 | Mikiya Fujii |
Refferences for CNDO and INDO are specified. |
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1531b73 | 2010-11-28 11:17:35 | Mikiya Fujii |
refferences are added. Some modification for Sulfer is also added. |
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b97c2db | 2010-11-24 21:00:09 | Mikiya Fujii |
sulfur is added. Unused code is deleted. |
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50d79a3 | 2010-11-22 20:18:05 | Mikiya Fujii |
sample input is modified. |
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6c47a16 | 2010-11-22 20:02:04 | Mikiya Fujii |
test2 |
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40c6e25 | 2010-11-22 19:45:06 | Mikiya Fujii |
test |
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3a2486e | 2010-11-22 19:43:36 | Mikiya Fujii |
svn propset -R svn:ignore '*.out' . |
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947d5cf | 2010-11-22 19:36:10 | Mikiya Fujii |
importing MolDS project |