Ty Balduf
Ty Balduf
@siamak-attarian Do you find any compiler messages starting with "error", "fail", or "warn"? The DLL IMPORT/EXPORT messages are a red-herring, as these are just "remarks" rather than warnings/errors, so they...
What platform was this run on? Seems like this is related to this open CPCM-X issue: https://github.com/grimme-lab/CPCM-X/issues/33
What Fortran and C compilers were you using?
Hopefully not the wrong place to ask, but its been mentioned here that including a .def file is at least a workaround for this issue. How do I get meson...
So I rewrote the translation entropy equation and it gives approximately the same result (free energy differs by ~10^-5 kcal/mol) If I work out the equivalent of magic4 and magic5,...
I've been a little preoccupied of late and won't have a chance to work on this too soon. I can probably get to it eventually, its mainly a matter of...
Seems to be related to https://github.com/grimme-lab/xtb/issues/987
Encountered the same issue today with a fresh install of 2.6.0 on Windows 11. Same issue downgrading to 2.5.0. https://drmemory.org/page_help.html#sec_narrow only DynamoRIO ran successfully. No luck generating ldmp files.
We also use CPCM-X for a few different applications at Schrodinger. I think we would be able to contribute towards maintaining this feature. Does it make more sense to maintain...