Commit 252fbd98 authored by hebrewsnabla's avatar hebrewsnabla
Browse files

update README

parent 2be3486a
......@@ -38,13 +38,13 @@ UHF, RHF can be auto-detected.
## Quick Start
```
from automr import guess, autocas, cidump
from automr import guess, autocas
xyz = 'N 0.0 0.0 0.0; N 0.0 0.0 1.9'
bas = 'cc-pvdz'
mf = guess.from_frag(xyz, bas, [[0],[1]], [0,0], [3,-3], cycle=50)
guess.check_stab(mf)
mf = guess.check_stab(mf)
mf2 = autocas.cas(mf)
```
......
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