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Reference:
Keywords
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Methods
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Commandline
Cuby on clusters
List of computational methods available in cuby
Available methods (values of the 'method' keyword):
am1
b97-3c
ccsd
ccsd(t)
dft
dft-sapt
forcefield
gfn-ff
gfn-xtb
gfn2-xtb
hf
hf-3c
mndo
mndo-d
mp2
mp3
mp4
pbeh-3c
pm3
pm6
pm7
proxy
qcisd
qcisd(t)
r2scan-3c
rm1
rpa
sapt
scc-dftb
scc-dftb3
torchmd
List of interfaces implementing each method can be found in documentation for a given method.