22 lines
499 B
Plaintext
22 lines
499 B
Plaintext
file_format extxyz
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file_extension xyz
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path_to_training_data_set "XYZ"
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path_to_test_data_set "XYZ"
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path_to_environment_configuration_set "XYZ"
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fitting_weight_energy 100.0
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fitting_weight_force 1.0
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fitting_regularization_parameter 1e-12
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error_analysis_for_training_data_set 1
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error_analysis_for_test_data_set 0
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# Add the following basename to the name of output files
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basename_for_output_files InP
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# number of digits after the decimal point for pod coefficients
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precision_for_pod_coefficients 6
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