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qeq-nonzero-net-charge
8a19b5e9
·
Fix q_net calculation: update u.
·
Jun 09, 2016
tensorflow_update
4aa2637a
·
Merge branch 'master' into tensorflow_update
·
Jan 17, 2020
new_setup
de615d2a
·
sPuReMD: fixes for non-file I/O setup / reset functions (qmmm, etc.).
·
Feb 03, 2021
energy_minim
159969c9
·
Update restraint related functions
·
Apr 15, 2021
restraint_support
d337939a
·
improve init. and allocation logic for restraints
·
Apr 16, 2021