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henniggroup / VASPsol

Solvation model for the plane wave DFT code VASP.
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Close INCAR in solvation.F and pot_k.F #26

Closed ehermes closed 9 years ago

ehermes commented 9 years ago

I noticed an incompatibility between VASPsol and Graeme Henkelman's VTSTtools. It seems that this might be due in part to VASPsol not properly closing the files that it is reading (It is also partly due to VTSTtools reading from the INCAR in a strange way). I added a few close statements to solvation.F and pot_k.F, but it seems like there are some more files that aren't being properly closed -- particularly in the output routines.

matk86 commented 9 years ago

Thanks for letting me know. I have pushed the fix. Apart from what you have pointed out, i've closed some other open units too.