[CPMD-list] writing Density every few steps

SeungBum Suh kissed at postech.ac.kr
Mon Aug 19 06:14:58 CEST 2002


Dear all,
I want to investigate Density change during a MD simulation.
To do this, I have to write density every few steps.
There is subroutine DHOPRI which writes density files.
Can I put this routine in main MD loop?
Is this routine change some variables?
Thanks in advance

SeungBum Suh



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