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SParTA
PuReMD
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qeq-nonzero-net-charge
8a19b5e9
·
Fix q_net calculation: update u.
·
8 years ago
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tensorflow_update
4aa2637a
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Merge branch 'master' into tensorflow_update
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5 years ago
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new_setup
de615d2a
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sPuReMD: fixes for non-file I/O setup / reset functions (qmmm, etc.).
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4 years ago
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energy_minim
159969c9
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Update restraint related functions
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4 years ago
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restraint_support
d337939a
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improve init. and allocation logic for restraints
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4 years ago
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