Some compatibility updates #97
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get_number_of_atoms() → get_global_number_of_atoms()
import rank is deprecated Changed lines 10 and 614 to use world.rank "from ase.parallel import world"
Changed line 66 from print to parprint
mhangaard
requested changes
Nov 14, 2022
mhangaard
approved these changes
Nov 14, 2022
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Makes it compatible with ase 3.22
Parprint in the MLMin tutorial