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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