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ConsistentForceField

Guides

  • ConsistentForceField

Tech Notes

  • Extending Coverage of the CFF

Symbols

  • CFFAngle
  • CFFAtomCoordinates
  • CFFDihedral
  • CFFDistance
  • CFFEnergyComponents
  • CFFEnergy
  • CFFEnergyReport
  • CFFGradient
  • CFFHessian
  • CFFNormalModes
  • CFFOptimizeGeometry
  • CFFParameterize
  • CFFThermodynamicFunctions
  • CFFThreeFoldTorsion
  • CFFTorsion
  • CFFTwist
  • CFFTwoFoldTorsion
  • NormalModeTable
  • $AllowSymbolicCFFEnergy
  • $CFFAuxiliaryPatternsParameters
  • $CFFPublishedPatternsParameters
  • $ConsistentForceFieldVersion
RobertNachbar`ConsistentForceField`
$ConsistentForceFieldParameters
​
$ConsistentForceFieldParameters
is a list of rules containing the published Consistent Force Field (CFF) symbolic parameters and their values.
​
Details and Options

Examples  
(1)
Basic Examples  
(1)
Here are first several parameters:
In[1]:=
MulticolumnTake
$ConsistentForceFieldParameters
,UpTo[10],2,Spacings2
Out[1]=

D

1309.9
kcal
th
/(
2
Å
mol)

0,T

1.501
Å

0,D

1.333
Å

l

723.
kcal
th
/(
2
Å
mol)

R

645.3
kcal
th
/(
2
Å
mol)

0,l

1.089
Å

0,R

1.526
Å

d

654.
kcal
th
/(
2
Å
mol)

T


R

0,d

1.105
Å
SeeAlso
$CFFAuxiliaryPatterns
 
▪
$CFFAuxiliaryParameters
RelatedGuides
▪
ConsistentForceField
""

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