pyiron_atomistics.atomistics.master.elasticmatrix.ElasticMatrixCalculator

pyiron_atomistics.atomistics.master.elasticmatrix.ElasticMatrixCalculator#

class pyiron_atomistics.atomistics.master.elasticmatrix.ElasticMatrixCalculator(basis_ref, num_of_point=5, eps_range=0.005, sqrt_eta=True, fit_order=2)[source]#

Bases: object

__init__(basis_ref, num_of_point=5, eps_range=0.005, sqrt_eta=True, fit_order=2)[source]#

Methods

__init__(basis_ref[, num_of_point, ...])

analyse_structures(output_dict)

Returns:

generate_structures()

Returns:

subjob_name(i, eps)

param i:
analyse_structures(output_dict)[source]#

Returns:

generate_structures()[source]#

Returns:

static subjob_name(i, eps)[source]#
Parameters:

  • i

  • eps

Returns: