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2014-04-24 19:19
MPI-parallelization
2013-12-19 10:48
Environmental point charges are added for MNDO series(MNDO, AM1, PM3, AM1-D, PM3-D, and PDDG/PM3). This is a cheap v...
2013-12-19 10:47
If the approximated Hessian matrix is too poor, the trust radius can go too small and RFO step scaling factor can go ...
2013-12-19 10:27
(None)
Use an iterator instead of an index to iterate input terms.
2013-12-19 09:12
Semiclassical method (NASCO)

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2011-09-23 06:45
OSDN System
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2011-09-23 06:45
OSDN System
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2016-08-22 20:34

great. it works and give opportunity to improve it.

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2013-12-27 19:37
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2013-12-27 19:36
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2013-12-27 19:34
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2013-08-05 02:39
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2013-07-18 17:00
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