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paesanilab / MBX

MBX is an energy and force calculator for data-driven many-body simulations.
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Energy with 0 polarizability and 0 polarizability factor seems to be hanging #53

Closed chemphys closed 6 years ago

chemphys commented 6 years ago

When 0pol and 0 polfac are used, the electrostatics energy seems to hang in the gamma function. That should be investigated and fixed.

chemphys commented 6 years ago

This issue has been fixed. CLosing