Units of Morse potential
Matt W
MattWa... at gmail.com
Fri Jan 6 17:58:02 UTC 2012
Hi,
when adding a classical Morse potential is there a way to change the units,
and the defaults are Hartree and bohr^-1?
It appears to need a list of parameters set under the keyword K, but for
the Morse potential K1 and K2 have different dimensions...
K1*[(1-exp(-K2*(R-R0)))^2-1])
Sorry, it's too late on Friday to go digging into the input parser.
Cheers,
Matt
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