tcp_sigma variable


NAME

  tcp_sigma -truncated Coulomb potential cutoff width

DESCRIPTION

The tcp_sigma variable enters the expression of the truncated Coulomb potential used to compute the electrostatic energy when tcp is set to ON. The truncated Coulomb potential has the form

v(r) = ( 1 / r ) * 0.5 * erfc( (r - tcp_rcut) / tcp_sigma )
The variable tcp_rcut limits the range of the Coulomb potential. The variable  tcp_sigma determines the width of the truncation region.

DEFAULT VALUE

0

ALLOWED VALUES

positive floating point

RELATED INFORMATION

tcp, tcp_rcut



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