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Feat: Add DeepMD MLFF support #999
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f36c6e6
interfaced with deepmd
MoseyQAQ c40b419
update testcase
MoseyQAQ 77d9a73
Merge branch 'main' into deep_potential
MoseyQAQ f73e1dd
update deepmd-kit dep
MoseyQAQ 5a0a769
Merge branch 'main' into deep_potential
JaGeo 3e6c85a
Merge branch 'materialsproject:main' into deep_potential
MoseyQAQ 707458c
remove concrete implementations, improve unittests
MoseyQAQ 5c60b88
update unittests
MoseyQAQ 1026a7f
fix MD test
MoseyQAQ 4c9d459
download from github, fix typo
MoseyQAQ a7d0345
use urllib.request
MoseyQAQ 5d4faa5
change MACE default download url
MoseyQAQ b012a93
update MACE forcefield utils
MoseyQAQ dff1030
import issue fix
MoseyQAQ 487feb0
Merge branch 'main' into deep_potential
MoseyQAQ 3421558
update MACE test
MoseyQAQ 7c5ca31
Merge branch 'main' into deep_potential
janosh f659079
fix typo in get_supercell_size tests: orhtorhombic
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Is it possible to implement this? Or do you see any hurdles?
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This part of the code checks whether the concrete Maker classes raise a
FutureWarning
, indicating they will be deprecated. As per our earlier discussions, I’ve removed the concrete implementations forDeepMD
, so this class no longer exists. Therefore, I’ve addressed this by skipping the test forDeepMD
.