Xponge.assign.gasteiger

SPONGE 1.4 的 Xponge API 文档。

Xponge.assign.gasteiger

This module is used to calculate the Gasteiger charge.

subpackages

submodules

functions

gasteiger

This function is used to calculate the Gasteiger charge of an assignment

parameters explanation
assign the Assign instance
return a list of charges