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IPSuite
Machine Learned Interatomic Potential Tools
https://ipsuite.readthedocs.io
Eclipse Public License 2.0
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Support lists in gromacs config
#336
Closed
PythonFZ
closed
3 months ago
PythonFZ
commented
3 months ago
[x] density, pressure and temperature are (n, 1) and could be (n, )