PotentialManager
Properties and Methods
__init__(self, config_dir=None):
list_potentials(self):
check_potential(self, name):
remove_potential(self, name):
add_potential(self, name, src, config_file=None, data=None, test=None, **opts):
potential_config(self, name):
load_potential(self, name):
compile_potential(self, name):
potential_compiled(self, name):
import_potential(self, name, src, format='zip'):
export_potential(self, name, path):
test_potential(self, name, input_file=None, coordinates=None, parameters=None, atoms=None):
test_potential_mpi(self, name, input_file=None, coordinates=None, parameters=None, atoms=None, **opts):
Examples
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