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pele-python / pele

Python energy landscape explorer
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Gupta #80

Closed dmitrische closed 10 years ago

dmitrische commented 10 years ago

Added Gupta potential from GMIN, created tests and a system in the playground. Old Gupta stuff in playground has been removed.

js850 commented 10 years ago

is this binary gupta?

dmitrische commented 10 years ago

This is homogeneous Gupta. Multicomponent version will be added later.

coveralls commented 10 years ago

Coverage Status

Coverage increased (+0.06%) when pulling 9421a526d5beeff88df6cbd18b49817816cf367d on dimaslave:gupta into 78847e2114a5500cba7bb95ba0da04292d1db5dd on pele-python:master.