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Force field support for constraints #236
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ghutchis
changed the title
Need to support constraints
Force field support for constraints
Jun 21, 2018
I'm going to start with freezing atoms and X, Y, Z coordinates in #325 - this will be sufficient to handle the auto-optimize mode. |
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Avogadro v1 included a variety of constraints:
It's probably also useful to support freezing X, Y, and Z axes independently (e.g. stuck to the XY plane but can move in that).
This should be supported in CJSON (i.e., saving constraints - sending them to input generators)
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