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Pytorch ver#43

Merged
lothian merged 5 commits intomainfrom
pytorch_ver
Jul 14, 2022
Merged

Pytorch ver#43
lothian merged 5 commits intomainfrom
pytorch_ver

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@bgpeyton
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@bgpeyton bgpeyton commented Jul 14, 2022

Description

Force pytorch version to 1.11 for the moment to avoid a package conflict.

Small README edits: move GPU and single/double-precision implementations to current capabilities, change LPNO to PNO, and add PNO++-CCSD energies and RT-CC. Also change the badges to pull from CrawfordGroup/pycc instead of lothian/pycc.

Todos

Notable points that this PR has either accomplished or will accomplish.

  • Check github CI
  • Add version to dependency in setup.py

Status

  • Ready to go

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codecov-commenter commented Jul 14, 2022

Codecov Report

Merging #43 (8f7536f) into main (423010c) will not change coverage.
The diff coverage is n/a.

@bgpeyton bgpeyton requested review from lothian and zw0930 July 14, 2022 19:11
@lothian lothian merged commit 7c2ca0a into main Jul 14, 2022
@bgpeyton bgpeyton deleted the pytorch_ver branch July 14, 2022 20:42
@bgpeyton bgpeyton mentioned this pull request Aug 9, 2022
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4 participants