该程序主要用于势能面计算，需要结合MS软件才能使用。-This scr ipt takes a probe molecule defined with a centroid and moves it along a series of grid points, calculating the energy at specified positions.

DLMS communication packages There are demo projects for C++, C# and Java. The C++ and C# projects have been developed using MS Visual Studio. The Java project has been developed using Eclipse. Before using a demo project to connect to a rea