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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