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tobigithub / quantum-xtb

Benchmarks and examples for Grimme's semiempirical GFNn-xTB
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Add ginseng #8

Open tobigithub opened 4 years ago

tobigithub commented 4 years ago

1) Add ginseng example explain temperature, check if temp settings are possible in XTB/CREST

2) Discuss PDF 6500_PS_A4.pdf