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Pull requests: MolSSI/QCEngine

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Pull requests list

NWCHEM: Adrian dipole/homo/lumo changes
#230 by ahurta92 was merged Mar 4, 2020 Loading…
2 tasks
9
NWChem: Run dipole moment calculation
#220 by ahurta92 was merged Feb 5, 2020 Loading…
2 tasks done
18
NWCHEM: added keyword dft to xc_functionals list. If method == "dft"
#204 by ahurta92 was merged Dec 20, 2019 Loading…
2 tasks done
3
NWChem: Read Dispersion
#203 by ahurta92 was merged Dec 17, 2019 Loading…
2 tasks done
4
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