Xponge.tools.unittests.test_5_nopbc

SPONGE 1.4 的 Xponge API 文档。

Xponge.tools.unittests.test_5_nopbc

This module gives the unit tests of the simulation for nopbc

subpackages

submodules

functions

test_rerun

test the single point energy for a general Born system

test_cv_run

test the steer MD simulation without pbc