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Add regression test for MACE TorchScript interface

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xysun25 2026-07-13 17:34:39 +02:00
parent ba3df260d9
commit 9995ded448
1 changed files with 1 additions and 1 deletions
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tests/Fist/regtest-mace/mace_test.inp
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@ -12,7 +12,7 @@
&NONBONDED
&MACE
ATOMS Cu
POT_FILE_NAME MACE/MACE_lora_run-3.model-cp2k.pth
POT_FILE_NAME MACE/MACE_scratch_run-3.model-cp2k.pth
UNIT_ENERGY eV
UNIT_FORCES eV*angstrom^-1
UNIT_LENGTH angstrom