USPEX使用笔记

1. 错误：error: read_molecules: A(I) = X: X must have the same size as I (新版无此问题)

原因：应该是octave和matlab的兼容性引起的

解决办法：在分子名后加 [1] [2]

2. panic seagment fault --stoping myself

问题跟踪

WriteGenerationOutput_310(fitness); EA_310.m

makeFigures.m 中这一行：print(h,'Energy_vs_N.eps','-deps');

set(gcf,'Visible','off'); comment this line

3. numIons overflow

whichType = RandInt(1,2,[1,length(atomType)]);

4. panic

WriteGenerationOutput_310(fitness);

WriteCompStatistic; set(gcf,'Visible','off')

5. error: structure has no member 'MOLECULE'

Mutation_310.m line 24:order(i)= POP_STRUC.POPULATION(IND).MOLECULES(i).order;