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Corrected Typo
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RandomDefaultUser committed Apr 4, 2024
1 parent dfe1e18 commit a7d9fa2
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2 changes: 1 addition & 1 deletion mala/descriptors/atomic_density.py
Original file line number Diff line number Diff line change
Expand Up @@ -238,7 +238,7 @@ def __calculate_python(self, **kwargs):
- It is roughly an order of magnitude slower for small systems
and doesn't scale too great
- It only works for ONE chemical element
- It has now MPI or GPU support
- It has no MPI or GPU support
"""
printout("Using python for descriptor calculation. "
"The resulting calculation will be slow for "
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2 changes: 1 addition & 1 deletion mala/descriptors/bispectrum.py
Original file line number Diff line number Diff line change
Expand Up @@ -247,7 +247,7 @@ def __calculate_python(self, **kwargs):
and doesn't scale too great (more information on the optimization
below)
- It only works for ONE chemical element
- It has now MPI or GPU support
- It has no MPI or GPU support
Some options are hardcoded in the same manner the LAMMPS implementation
hard codes them. Compared to the LAMMPS implementation, some
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