ParaTools. Tools to explore potential energy surfaces
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| Thu Dec 4 10:37:25 UTC 2014 | ||
| Thu Dec 4 10:33:45 UTC 2014 | ||
AM: .g() method should work for any shape This changes is needed for doctests of the harmonic analysis recorded just before to succeed. | Thu Dec 4 10:34:58 UTC 2014 | |
| Thu Dec 4 10:32:13 UTC 2014 | ||
| Thu Dec 4 10:30:46 UTC 2014 | ||
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| Wed Sep 24 08:12:34 UTC 2014 | ||
AM: xtol, ftol, maxit uniformely In fact ftol is a bad name as it is used in some codes to mean the accuracy of the objective function, not forces. | Wed Sep 24 08:11:27 UTC 2014 | |
| amgarching | Tue Sep 23 21:04:53 UTC 2014 | |
| amgarching | Tue Sep 23 19:56:43 UTC 2014 | |
| amgarching | Tue Sep 23 19:55:19 UTC 2014 | |
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| amgarching | Tue Sep 23 10:41:01 UTC 2014 | |
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| amgarching | Mon Sep 22 20:25:31 UTC 2014 | |
| amgarching | Mon Sep 22 20:23:09 UTC 2014 | |
| amgarching | Mon Sep 22 20:17:20 UTC 2014 | |
| amgarching | Mon Sep 22 20:06:53 UTC 2014 | |
| amgarching | Mon Sep 22 20:04:12 UTC 2014 | |
| amgarching | Mon Sep 22 20:01:06 UTC 2014 | |
| amgarching | Mon Sep 22 19:56:39 UTC 2014 | |
| Mon Sep 22 14:54:35 UTC 2014 |
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