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update MLIAP readme files

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Axel Kohlmeyer
2020-12-09 10:28:40 -05:00
parent 50a9ac92a7
commit f7e0fbf064
2 changed files with 14 additions and 11 deletions
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examples/mliap/README.pytorch
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@ -17,8 +17,8 @@ From that point you can run the example lmp -in in.mliap.pytorch.Ta06A -echo bot
2: Running models from python with LAMMPS in library mode: mliap_pytorch_Ta06A.py
Before testing this, ensure that the first example (using LAMMPS executable) works.
Also, not all python installations support this mode of operation.
It requires that the Python interpreter be initialized.
Also, not all python installations support this mode of operation.
It requires that the Python interpreter be initialized.
To check this for your Python library,
run the Py_IsInitialized() method.
If the return value is True, you should be able to run the example,