From: Jijun Xu <ji...@gm...> - 2011-03-25 13:06:09
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I downloaded the wavepacket software package from sourceforge. The package is very excellent. I tried to study it and use it. But I encountered a problem, how can i store the wave function every step when I use qm_propa to calculate the time-dependent equation. I read the manual, and tried to add "psi.save.export=true;psi.save.dir='dir';psi.save.file='file.dat';psi.save.step=n" in the initialize.m, but the program cannot run normally. would you mind give me suggestion? Thanks for your help! |