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Ran 21 Jun 2023 07:46PM UTC

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Committed 21 Jun 2023 07:37PM UTC coverage: 89.498% (-0.02%) from 89.513%

Job # 5338225271.1

Build Type

push

github

Committed by

web-flow

Commit Message

Initial support for MP2 via TAMM (#35)

* Reorganize the run directories

* Change TAMMs units to Ha

* Stub for TAMM benchmarking

* Add template file

* Got my unit conversion backwards

:lol:

* Restore better cutoffs

* Updates to make it run on Sunspot

* Simplify the input file

* Support MP2

* Add missing test file

* Made training script more flexible

So that I can re-use for finetuning for MP2

* Update to avoid networking problems

* Add notebook where we investigate NWChem runtimes

Run Details

963 of 1076 relevant lines covered (89.5%)

0.89 hits per line

exalearn / fast-finetuned-forcefields / 5338225271 / 1
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main: 90%

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exalearn / fast-finetuned-forcefields / 5338225271 / 1 90% main: 90%

README BADGES x

Markdown

Textile

RDoc

HTML

Rst

Source Files on job 5338225271.1

exalearn / fast-finetuned-forcefields / 5338225271 / 1
90%
main: 90%

README BADGES
x