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Hamiltonian
--
DFT+U
--
PCM
--- PCMCalcMethod
--- PCMCalculation
--- PCMCavity
--- PCMChargeSmearNN
--- PCMDebyeRelaxTime
--- PCMDrudeLDamping
--- PCMDrudeLOmega
--- PCMDynamicEpsilon
--- PCMEoMInitialCharges
--- PCMEpsilonModel
--- PCMGamessBenchmark
--- PCMKick
--- PCMLocalField
--- PCMQtotTol
--- PCMRadiusScaling
--- PCMRenormCharges
--- PCMSmearingFactor
--- PCMSolute
--- PCMSpheresOnH
--- PCMStaticEpsilon
--- PCMTDLevel
--- PCMTessMinDistance
--- PCMTessSubdivider
--- PCMUpdateIter
--- PCMVdWRadii
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PCMRadiusScaling
PCMRadiusScaling
Section Hamiltonian::PCM
Type float
Scales the radii of the spheres used to build the solute cavity surface.
The default value depends on the choice of PCMVdWRadii :
1.2 for pcm_vdw_optimized and 1.0 for pcm_vdw_species .
Source information
hamiltonian/pcm.F90 : 301
call parse_variable ( namespace , 'PCMRadiusScaling' , default_value , pcm % scale_r )