[Molecuilder-devel] [SCM] MoleCuilder branch SphericalPointDistribution created. v1.4.9-63-gb1da407
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The branch, SphericalPointDistribution has been created
at b1da40790a94dda83c5afbc4a9e1fd91285b21b8 (commit)
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commit b1da40790a94dda83c5afbc4a9e1fd91285b21b8
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date: Thu Jan 29 01:25:11 2015 +0100
Enhanced add-bonds and remove-bonds to multiply selected pairs of atoms.
- renamed add/remove-bond -> add/remove-bond(s) to emphasize this.
- added regression test on three selected atoms.
- modified userguide entry for both actions.
commit 6758ce600114c8bfdf12e41bc2b39a0d021466f5
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date: Thu Jan 29 01:24:41 2015 +0100
Added regression test fpr saturate-atoms.
commit d9b819d927b3f1cc62c418ebd4aca69a976d6727
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date: Thu Jan 29 01:23:53 2015 +0100
tempcommit: Fixes to SaturateAction.
commit 0bdc6f874c9c0aea3ba0d076b185865624cd478f
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date: Thu Jan 29 01:19:19 2015 +0100
Added saturate-atoms to userguide.
commit 569f490abdc4a60746f286c6ccb061729eeacc34
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date: Tue Jan 27 22:58:34 2015 +0100
tempcommit: Trimmed down SphericalPointDistribution to what I need at the moment.
commit 793c74fe4fa3879cb7f93aad97048ec86310ab2e
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date: Tue Jan 27 22:28:27 2015 +0100
Added SaturateAction that uses SphericalPointDistribution.
commit 6b19aef6c7f98466ca9c6eeceb0604044b3f2cdf
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date: Wed Jun 4 13:23:31 2014 +0200
Added more unit test functions up to N=8 to SphericalPointDistributionUnitTest.
- marked unit test as XFAIL.
commit 6f68f0881c206ec6f8b977e689babbae38754909
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date: Fri May 30 15:31:15 2014 +0200
Moved all code from header of SphericalPointDistribution into cpp module.
commit 14baa9e9958c57e564ca77a3793083610b986892
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date: Thu May 29 20:15:26 2014 +0200
Added unit tests for SphericalPointDistribution.
commit 76ddb844841b32a86427bed99a53004b71bd8381
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date: Thu May 29 13:29:03 2014 +0200
Added matchSphericalPointDistributions() to SphericalPointDistribution.
- so far we do nothing.
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