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NLESC-JCER / QMCTorch

Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems

https://qmctorch.readthedocs.io/

Apache License 2.0

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Development #165

Open NicoRenaud opened 7 months ago

NicoRenaud commented 7 months ago

Merge Development to main this includes:

Unify Slater Jastrow https://github.com/NLESC-JCER/QMCTorch/pull/134
MPI4PY Optional https://github.com/NLESC-JCER/QMCTorch/pull/122
Data Loader https://github.com/NLESC-JCER/QMCTorch/pull/128
logspace sampling https://github.com/NLESC-JCER/QMCTorch/pull/121
baching https://github.com/NLESC-JCER/QMCTorch/pull/120