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(parent: fb94b5e) | patch
UFF bond length and angle parameters are now automatically set. (octahedral and squar...
authorToshi Nagata <alchemist.2005@nifty.com>
Sun, 7 Nov 2021 14:32:41 +0000 (23:32 +0900)
committerToshi Nagata <alchemist.2005@nifty.com>
Sun, 7 Nov 2021 14:32:41 +0000 (23:32 +0900)
commitddaf6f5e66ed3d93d9c0ef4f1d5364a14e2981a4
tree1f70c0cd26a92c5e67354b9a819ef66caf30a29ctree | snapshot
parentfb94b5ee1935607b8851cd809e3a9e42f8b1e2c0commit | diff
UFF bond length and angle parameters are now automatically set. (octahedral and square planar geometries are also taken account.)
Scripts/uff.rb diff | blob | history
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