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SParTA
PuReMD
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d4189efaa9ec1f12aca39a8bf713266fbc3aad9b
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9
main
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pg-puremd-charge-solver-opt-sdsc-hackaton
dummy-atom-support
tensorflow_update_v2
restraint_support
energy_minim
new_setup
tensorflow_update
qeq-nonzero-net-charge
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v1.0-rc1
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PuReMD
sPuReMD
src
spuremd.h
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4 years ago
d4189efa
sPuReMD: rework QMMM interface to use string representations of atom element types.
· d4189efa
Kurt A. O'Hearn
authored
4 years ago
d4189efa
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sPuReMD: rework QMMM interface to use string representations of atom element types.
Kurt A. O'Hearn
authored
4 years ago
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