第十讲几何构型优化的FORTRAN算法

GeometryoptimizationTheConjugateGradientProgram1、可变尺度法(variablemetricmethods)quasi-Newtonmethods2、常用力常数更新方法（1）Murtagh/Sargent(MS):（2）Broyden/Fletcher/Goldfarb/Shanno(BFGS):（3）Davidon/Fletcher/Powell(DFP):(4)Combinedmethod(BFGS/DFP)WhenS1(S-1)S1andS10，DFPmethodOtherwise,BFGSmethodDFP程序