QMCTorch - v0.4.0

HUGE change in the code

• remove unused parts
• optimize memory usage
• refactor many parts
• fixed many bugs

Scientific Software - Peer-reviewed - Python
Published by NicoRenaud 10 months ago

QMCTorch - v0.3.3

Fixed bug with scipy factorial function

Scientific Software - Peer-reviewed - Python
Published by NicoRenaud about 1 year ago

QMCTorch - v0.3.2

Fixes a minor bug on OSX regarding torch type cast to int

Scientific Software - Peer-reviewed - Python
Published by NicoRenaud over 2 years ago

QMCTorch - v0.3.1

This releases fixes a bug in unit conversion for the atomic positions and make the code supports cc-pvxx orbitals.

Scientific Software - Peer-reviewed - Python
Published by NicoRenaud over 2 years ago

QMCTorch - v0.3.0

Scientific Software - Peer-reviewed - Python
Published by NicoRenaud almost 3 years ago

QMCTorch - QMCTorch v0.1.0

Scientific Software - Peer-reviewed - Python
Published by NicoRenaud almost 6 years ago