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Nwchem Final GSoC Project #16

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merged 9 commits into from
Jul 15, 2023
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zarkoivkovicc
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MP2 and CC calculations are now available. Custom basis sets and ECP basis sets are available. Solvation models (SMD and COSMO) are implemented, along with custom solvation radii. CASSCF calculations are implemented. Density fitting is available.

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@RaphaelRobidas RaphaelRobidas left a comment

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Very nice work! See the couple adjustments to make in order to finalize these features.

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@zarkoivkovicc
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Everything should be okay now

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@RaphaelRobidas RaphaelRobidas left a comment

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Thanks for the swift corrections, the specification handling looks very solid, nice job. See the new comment to address, otherwise everything looks great.

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Great, thanks again for your contributions!

@RaphaelRobidas RaphaelRobidas merged commit 65f996a into cyllab:main Jul 15, 2023
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2 participants