WebCLI/misc/analyze_options.py
METHODS = {
'scipy': ['NELDER-MEAD', 'COBYLA', 'POWELL', 'SLSQP', 'L-BFGS-B', 'BFGS',
'CG', 'TNC', 'TRUST-KRYLOV', 'NEWTON-CG', 'DOGLEG', 'TRUST-NCG',
'TRUST-EXACT', 'TRUST-CONSTR'],
'gd': ['adam', 'adagrad', 'adamax', 'nadam', 'sgd', 'momentum', 'nesterov',
'rmsprop', 'rmsprop-nesterov']
}
BASIS_SET_CHOICES = ['sto-3g']
def optimizer_methods(module: str):
return METHODS[module]
def optimizer_modules():
return list(METHODS.keys())
def basis_set_options():
return BASIS_SET_CHOICES