Xponge.forcefield.base.charge_base

SPONGE 1.4 的 Xponge API 文档。

Xponge.forcefield.base.charge_base

This module is the basic setting for the force field property of charge

subpackages

submodules

functions

write_charge

This function is used to write SPONGE input file

parameters explanation
self the Molecule instance
return the string to write