Wolfram Language Paclet Repository
Community-contributed installable additions to the Wolfram Language
RobertNachbar`ConsistentForceField`
CFFNormalModes  |
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Details and Options
Examples
(6)
Basic Examples
(1)
Compute the normal modes for ethylene:
In[1]:=
 | CFFNormalModes |
 | CFFOptimizeGeometry |
Out[1]=
FrequenciesQuantityArray
,NormalModesQuantityArray
,NormalModeLabels{S[1],S[2],S[3],S[4],S[5],S[6],S[7],S[8],S[9],S[10],S[11],S[12]},NormalModeSymmetries{,,,,,,,,,,,},InfraredActive{False,True,False,True,False,True,False,False,False,False,True,True},CoordinateLabels{r[1,2],r[1,3],r[1,4],r[2,5],r[2,6],θ[2,1,3],θ[2,1,4],θ[3,1,4],θ[1,2,5],θ[1,2,6],θ[5,2,6],Φ[{3,4},1,2,{6,5}],χ[1,2,3,4],χ[2,1,6,5]}
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C
2h
C
2v
D
2h
C
2v
D
2h
C
2v
D
2h
C
2h
D
2
C
2h
C
2v
C
2v
Options
(3)
Applications
(1)
Neat Examples
(1)
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""