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I need to finish the job begun in #134 (see #53) and extend the code I added to modulate bond parameters via partial bond orders (when desired) to also modulate angle and torsional parameters.
Our current SMIRFF prototypes (i.e. see #136 ) will not actually modulate angle parameters via partial bond orders, but we should implement handling for that case anyway for completeness.
The text was updated successfully, but these errors were encountered:
I need to finish the job begun in #134 (see #53) and extend the code I added to modulate bond parameters via partial bond orders (when desired) to also modulate angle and torsional parameters.
Our current SMIRFF prototypes (i.e. see #136 ) will not actually modulate angle parameters via partial bond orders, but we should implement handling for that case anyway for completeness.
The text was updated successfully, but these errors were encountered: