MolSSI / QCEngine

Quantum chemistry program executor and IO standardizer (QCSchema).
https://molssi.github.io/QCEngine/
BSD 3-Clause "New" or "Revised" License
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gamess memory changes #421

Open loriab opened 11 months ago

loriab commented 11 months ago

Description

This was originally proposed in #401 but there was some trouble https://github.com/MolSSI/QCEngine/pull/401#pullrequestreview-1561856232 so separated out. Taylor reports that the system__mwords change needed to run GAMESS on Perlmutter.

Changelog description

Status

codecov[bot] commented 11 months ago

Codecov Report

Merging #421 (5267495) into master (034fd1a) will not change coverage. The diff coverage is n/a.

Additional details and impacted files