search

JFxMachina / MDCode-solo

1 stars 0 forks source link

Computation of some of the tmQM properties #3

Closed JFxMachina closed 1 year ago

JFxMachina commented 1 year ago

Add facilities to compute the specified properties given a .traj file

JFxMachina commented 1 year ago

Not doing tmQM materials. See https://github.com/JFxMachina/MDCode-solo/issues/1#issuecomment-1436760530 . Closing for now.