There is a newer version of the record available.

Published April 15, 2020 | Version v4.8.1
Software Open

Quantum-Dynamics-Hub/libra-code: HEOM in Libra

  • 1. @University at Buffalo

Description

  • tsh, heom, and exact dynamics (on the grid) module are systematically organized in the libra_py/dyn
  • the clean and tested HEOM module
  • significantly improved the functionality of the exact quantum dynamics module
  • Colbert-Miller DVR
  • NBRA-LZ for TD-DFTB+ codes
  • adopted MolSSI cookiecutter strategies for documenting and maintaining the code

Although this release has added many features, we consider it a snapshot for the first official release of the HEOM module.

Files

Quantum-Dynamics-Hub/libra-code-v4.8.1.zip

Files (190.7 MB)

Name Size Download all
md5:a6396e4f8dcf5435c01f3a729da0c8ae
190.7 MB Preview Download

Additional details