Add dont_traj setting when restarting from trajectory

molmod / QuickFF

A Python code to quickly derive ab initio parameterized force fields.

GNU General Public License v3.0

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Add dont_traj setting when restarting from trajectory #13

Open SanderBorgmans opened 4 years ago

SanderBorgmans commented 4 years ago

Include the dont_traj setting when generating trajectories from file

lvduyfhu commented 3 years ago

Am I right in assuming this is included in release v2.2.7 and hence a merge is no longer required?

SanderBorgmans commented 3 years ago

@lvduyfhu This code does not seem to be present in the latest release. However, I think this is a very particular setting that is likely not be used unless in very specific cases. It might be better to let this code exist on its own branch?