Code

[pull] master from dacase:master#28

Code

Merged

pull[bot] merged 4 commits intotongzhugroup:mastertongzhugroup/afnmr:masterfrom dacase:masterdacase/afnmr:masterCopy head branch name to clipboardApr 18, 2021

+469-189

Commits

Commits on Apr 10, 2021

• go back to MIX -0.1, SHIFT 0.0, DIIS ON and tighter tolerance

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  72cadb1

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• add pcSseg-0,1 basis sets for qchem

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  3185fe8

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Commits on Apr 18, 2021

• update outputs to latest SCF changes

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  4dea226

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• Merge branch 'master' of github.com:dacase/afnmr

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  6144185

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