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$IEFPCM group (optional)
This group defines data for the integral equation
formalism version of PCM solvation. It includes special
options for ionic or anisotropic solutions.
The next two sets are relevant only for anisotropic
solvents, namely IEF=1:
EPS1, EPS2, EPS3 =
diagonal values of the dielectric permittivity
tensor with respect to the laboratory frame.
The default is EPS in $PCM
EUPHI, EUTHE, EUPSI =
Eulerian angles which give the rotation of the
solvent orientation with respect to the lab frame.
The term lab frame means $DATA orientation.
The default for each is zero degrees.
The next two are relevant to ionic solvents, namely IEF=2:
EPSI = the ionic solutions's dielectric, the default is
EPS from $PCM.
DISM = the ionic strength, in Molar units (mol/dm**3)
The default is 0.0
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generated on 7/7/2017