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SParTA
PuReMD
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29b26f11ea3414c34cd7479553b1d2445b85615a
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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
PuReMD
src
parallelreax.c
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6 years ago
29b26f11
PuReMD-old: fix average solver iteration calculation to be correct when energy_update_freq > 1.
· 29b26f11
Kurt A. O'Hearn
authored
6 years ago
29b26f11
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PuReMD-old: fix average solver iteration calculation to be correct when energy_update_freq > 1.
Kurt A. O'Hearn
authored
6 years ago
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