Candidate_v1.6.1
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Last change
on this file was 310445, checked in by Frederik Heber <frederik.heber@…>, 8 years ago |
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Added RandomPerturbationAction.
- this should be when doing structural optimization for getting given
configurations out of ambivalent states, e.g. a water molecule whose
three atoms define a straight line.
- note that we need to use a sensible random number distribution, the
default is not doing what's expected. Added to docu.
- TESTS: Added regression test with undo/redo.
- DOCU: Added documentation to userguide.
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Property mode
set to
100644
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File size:
114 bytes
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| 1 | 3
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| 2 | Created by molecuilder on Sun Apr 2 21:55:57 2017, time step 0
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| 3 | O 9.9 9.9 10.1
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| 4 | H 9.2 10.1 9.9
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| 5 | H 10.6 10.1 10.1
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