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Add regression test for MACE TorchScript interface

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xysun25 2026-07-13 16:29:44 +02:00
parent 017b81b173
commit ddb3aa2553
2 changed files with 2 additions and 2 deletions
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2
tests/Fist/regtest-mace/TEST_FILES.toml
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@ -1,3 +1,3 @@
# Test of MACE using libtorch https://pytorch.org/cppdocs/installing.html
"mace_test.inp" = [{matcher="M011", tol=1.0E-9, ref=-1532.334513591473979}]
"mace_test.inp" = [{matcher="M011", tol=1.0E-9, ref=-1532.363300232407482}]
#EOF

2
tests/Fist/regtest-mace/mace_test.inp
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@ -1,7 +1,7 @@
&GLOBAL
PRINT_LEVEL LOW
PROJECT mace_test
RUN_TYPE ENERGY_FORCE
PRINT_LEVEL LOW
&END GLOBAL
&FORCE_EVAL