Hello,everyone
I can not find the package ML-MACE in lammps manual.
Is the ML-PACE is ML-MACE?
When I grep ML- in the CMakeCache.txt, ML-MACE is also not found.
Anyone can offer a help?
Best,
Baoshuai
Is the ML-PACE is ML-MACE?
When I grep ML- in the CMakeCache.txt, ML-MACE is also not found.
Anyone can offer a help?
MACE is not part of the LAMMPS distribution but maintained separately. You have to follow its installation instructions to add it to LAMMPS.
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No PACE is not equal to MACE.
See here for MACE: MACE in LAMMPS — mace 0.1.0 documentation for
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Dear stamoor，
In fact, I have read this web carefully. But I still can not understand it!
According to it, cmake keyword “-D PKG_ML-MACE=ON " should be added.
But in the produced CMakeCache.txt,I can not find a line with ''PKG_ML-MACE=ON”.
I don’t think it’s a effective cmake keyword.
In the example of mace in lammps, mace code even not be downloaded.
If it is not a part of lammps, how cmake can find where mace code are?
You have not read and followed the MACE documentation carefully enough. They have their own, modified LAMMPS sources which contain the necessary changes to the Cmake scripts.
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