brucefan1983 / GPUMD

Graphics Processing Units Molecular Dynamics
https://gpumd.org/dev
GNU General Public License v3.0
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the eigenvector. out output from the phono function module is a binary file. #659

Closed 3183427473 closed 1 month ago

3183427473 commented 3 months ago

In the new version of GPUMD, the eigenvector. out output from the phono function module is a binary file. How can I modify the code to output text format. I looked at this: https://github.com/brucefan1983/GPUMD/commit/ed48271b7c4a2a1f6ffdf494f08eab8071d15cae#diff -D10e76f254c8da033e299732d5bb89525c7688b67f835c0180e427a2700da73c has now been modified incorrectly.

brucefan1983 commented 3 months ago

You can follow the diff to modify the code, it should work. You can show the error messges here if you got some.