Cannot setup geometries for Freezing String Method jobs

nutjunkie / IQmol

IQmol is an open source molecular editor and visualization package

GNU General Public License v3.0

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Cannot setup geometries for Freezing String Method jobs #39

Open slipchenko opened 4 years ago

slipchenko commented 4 years ago

It seems to be a bug that does not allow copying previously optimized geometries into FSM calculation. When one geometry is copied, another one becomes overwritten.