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mod_global_feature_statistics

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Module providing the GlobalFeatureStatistics type, see its documentation. author: Moritz R. Schaefer

Dependencies

Uses

module~~mod_global_feature_statistics~~UsesGraph module~mod_global_feature_statistics mod_global_feature_statistics module~mod_free mod_free module~mod_global_feature_statistics->module~mod_free module~mod_io mod_io module~mod_global_feature_statistics->module~mod_io module~mod_periodic_table mod_periodic_table module~mod_global_feature_statistics->module~mod_periodic_table module~mod_precision mod_precision module~mod_global_feature_statistics->module~mod_precision module~mod_statistics_container mod_statistics_container module~mod_global_feature_statistics->module~mod_statistics_container module~mod_statisticsfile mod_statisticsfile module~mod_global_feature_statistics->module~mod_statisticsfile module~mod_throw mod_throw module~mod_global_feature_statistics->module~mod_throw module~mod_free->module~mod_precision module~mod_io->module~mod_precision iso_fortran_env iso_fortran_env module~mod_io->iso_fortran_env module~mod_optional_args mod_optional_args module~mod_io->module~mod_optional_args module~mod_periodic_table->module~mod_io module~mod_periodic_table->module~mod_precision module~mod_periodic_table->module~mod_throw module~mod_array_helpers mod_array_helpers module~mod_periodic_table->module~mod_array_helpers module~mod_constants mod_constants module~mod_periodic_table->module~mod_constants iso_c_binding iso_c_binding module~mod_precision->iso_c_binding module~mod_precision->iso_fortran_env module~mod_statistics_container->module~mod_io module~mod_statistics_container->module~mod_periodic_table module~mod_statistics_container->module~mod_precision module~mod_statistics_container->module~mod_throw module~mod_statistics_container->module~mod_constants module~mod_mpi mod_mpi module~mod_statistics_container->module~mod_mpi module~mod_table mod_table module~mod_statistics_container->module~mod_table module~mod_statisticsfile->module~mod_statistics_container module~mod_abstract_broadcast_file mod_abstract_broadcast_file module~mod_statisticsfile->module~mod_abstract_broadcast_file module~mod_statisticsfile->module~mod_mpi module~mod_throw->module~mod_io module~mod_throw->module~mod_precision module~mod_throw->iso_c_binding module~mod_throw->iso_fortran_env module~mod_throw->module~mod_mpi module~mod_sort mod_sort module~mod_throw->module~mod_sort module~mod_abstract_broadcast_file->module~mod_io module~mod_abstract_broadcast_file->module~mod_throw module~mod_abstract_broadcast_file->module~mod_mpi module~mod_genericfile mod_genericfile module~mod_abstract_broadcast_file->module~mod_genericfile module~mod_sanitize mod_sanitize module~mod_abstract_broadcast_file->module~mod_sanitize module~mod_array_helpers->module~mod_precision module~mod_array_helpers->module~mod_throw module~mod_constants->module~mod_precision module~mod_constants->iso_c_binding module~mod_mpi->module~mod_precision mpi_f08 mpi_f08 module~mod_mpi->mpi_f08 module~mod_sort->module~mod_precision module~mod_table->module~mod_io module~mod_table->module~mod_precision module~mod_table->module~mod_throw module~mod_decorations mod_decorations module~mod_table->module~mod_decorations module~mod_decorations->module~mod_io module~mod_decorations->module~mod_precision module~mod_decorations->module~mod_throw module~mod_genericfile->module~mod_io module~mod_genericfile->module~mod_throw module~mod_genericfile->module~mod_mpi module~mod_sanitize->module~mod_throw

Used By

module~~mod_global_feature_statistics~~UsedByGraph module~mod_global_feature_statistics mod_global_feature_statistics module~mod_global_feature_calculator mod_global_feature_calculator module~mod_global_feature_calculator->module~mod_global_feature_statistics module~mod_global_features_helper mod_global_features_helper module~mod_global_features_helper->module~mod_global_feature_statistics module~mod_global_features_helper->module~mod_global_feature_calculator module~mod_output_files_and_cost mod_output_files_and_cost module~mod_output_files_and_cost->module~mod_global_feature_statistics module~mod_predict_multiple_structures mod_predict_multiple_structures module~mod_output_files_and_cost->module~mod_predict_multiple_structures module~mod_ee4g_feature_calculator mod_ee4g_feature_calculator module~mod_output_files_and_cost->module~mod_ee4g_feature_calculator module~mod_cost_calculator mod_cost_calculator module~mod_output_files_and_cost->module~mod_cost_calculator module~mod_post_processing_wrapper_single_structure mod_post_processing_wrapper_single_structure module~mod_post_processing_wrapper_single_structure->module~mod_global_feature_statistics module~mod_post_processing_wrapper_single_structure->module~mod_global_features_helper module~mod_post_processing_wrapper_single_structure->module~mod_ee4g_feature_calculator module~mod_evaluate_4g_single_structure mod_evaluate_4g_single_structure module~mod_post_processing_wrapper_single_structure->module~mod_evaluate_4g_single_structure module~mod_post_processing_4g_single_structure mod_post_processing_4g_single_structure module~mod_post_processing_wrapper_single_structure->module~mod_post_processing_4g_single_structure module~mod_predict_mode mod_predict_mode module~mod_predict_mode->module~mod_global_feature_statistics module~mod_predict_mode->module~mod_predict_multiple_structures module~mod_predict_mode->module~mod_ee4g_feature_calculator module~mod_enforce_reading mod_enforce_reading module~mod_predict_mode->module~mod_enforce_reading module~mod_qeq_feature_calculator mod_qeq_feature_calculator module~mod_predict_mode->module~mod_qeq_feature_calculator module~mod_initialize mod_initialize module~mod_predict_mode->module~mod_initialize module~mod_write_outfiles mod_write_outfiles module~mod_predict_mode->module~mod_write_outfiles module~mod_predict_multiple_structures->module~mod_global_feature_statistics module~mod_predict_multiple_structures->module~mod_post_processing_wrapper_single_structure module~mod_predict_multiple_structures->module~mod_ee4g_feature_calculator module~mod_structure_batch_iterator mod_structure_batch_iterator module~mod_predict_multiple_structures->module~mod_structure_batch_iterator module~mod_predict_single_structure mod_predict_single_structure module~mod_predict_single_structure->module~mod_global_feature_statistics module~mod_predict_single_structure->module~mod_post_processing_wrapper_single_structure module~mod_predict_single_structure->module~mod_ee4g_feature_calculator module~mod_runner_interface mod_runner_interface module~mod_runner_interface->module~mod_global_feature_statistics module~mod_runner_interface->module~mod_ee4g_feature_calculator module~mod_train_loop_short_range mod_train_loop_short_range module~mod_train_loop_short_range->module~mod_global_feature_statistics module~mod_train_loop_short_range->module~mod_global_feature_calculator module~mod_train_loop_short_range->module~mod_global_features_helper module~mod_train_loop_short_range->module~mod_output_files_and_cost module~mod_train_loop_short_range->module~mod_ee4g_feature_calculator module~mod_output_files_and_cost_4g_short_range mod_output_files_and_cost_4g_short_range module~mod_train_loop_short_range->module~mod_output_files_and_cost_4g_short_range module~mod_train_loop_short_range->module~mod_qeq_feature_calculator module~mod_train_loop_short_range->module~mod_initialize module~mod_predict_ee4g_feature_calculator_multiple_structures mod_predict_ee4g_feature_calculator_multiple_structures module~mod_train_loop_short_range->module~mod_predict_ee4g_feature_calculator_multiple_structures module~mod_predict_qeq_feature_calculator_multiple_structures mod_predict_qeq_feature_calculator_multiple_structures module~mod_train_loop_short_range->module~mod_predict_qeq_feature_calculator_multiple_structures module~mod_train_energy_multiple_structures mod_train_energy_multiple_structures module~mod_train_loop_short_range->module~mod_train_energy_multiple_structures module~mod_train_forces_multiple_structures mod_train_forces_multiple_structures module~mod_train_loop_short_range->module~mod_train_forces_multiple_structures module~mod_train_loop_short_range->module~mod_cost_calculator module~mod_ee4g_feature_calculator->module~mod_global_feature_calculator module~mod_enforce_reading->module~mod_global_feature_calculator module~mod_feature_calc_interface mod_feature_calc_interface module~mod_feature_calc_interface->module~mod_runner_interface module~mod_generic_interface mod_generic_interface module~mod_feature_calc_interface->module~mod_generic_interface module~mod_feature_map_scaling_all_chunks mod_feature_map_scaling_all_chunks module~mod_feature_map_scaling_all_chunks->module~mod_global_feature_calculator module~mod_feature_map_scaling_all_chunks->module~mod_ee4g_feature_calculator module~mod_feature_map_scaling_all_chunks->module~mod_qeq_feature_calculator module~mod_feature_map_scaling_all_chunks->module~mod_structure_batch_iterator module~mod_generic_interface->module~mod_predict_single_structure module~mod_generic_interface->module~mod_runner_interface module~mod_lammps_interface mod_lammps_interface module~mod_lammps_interface->module~mod_runner_interface module~mod_runner_interface_bindings mod_runner_interface_bindings module~mod_lammps_interface->module~mod_runner_interface_bindings module~mod_output_files_and_cost_4g_short_range->module~mod_global_feature_calculator module~mod_predict_4g_short_range_training_qeq_multiple_structures mod_predict_4g_short_range_training_qeq_multiple_structures module~mod_output_files_and_cost_4g_short_range->module~mod_predict_4g_short_range_training_qeq_multiple_structures module~mod_output_files_and_cost_4g_short_range->module~mod_predict_qeq_feature_calculator_multiple_structures module~mod_output_files_and_cost_4g_short_range->module~mod_cost_calculator module~mod_predict_4g_no_force_trick_single_structure mod_predict_4g_no_force_trick_single_structure module~mod_predict_4g_no_force_trick_single_structure->module~mod_global_feature_calculator module~mod_predict_4g_no_force_trick_single_structure->module~mod_global_features_helper module~mod_predict_4g_short_range_training_qeq_single_structure mod_predict_4g_short_range_training_qeq_single_structure module~mod_predict_4g_no_force_trick_single_structure->module~mod_predict_4g_short_range_training_qeq_single_structure module~mod_predict_4g_no_force_trick_single_structure->module~mod_qeq_feature_calculator module~mod_predict_qeq_feature_calculator_single_structure mod_predict_qeq_feature_calculator_single_structure module~mod_predict_4g_no_force_trick_single_structure->module~mod_predict_qeq_feature_calculator_single_structure module~mod_predict_4g_short_range_training_qeq_multiple_structures->module~mod_global_feature_calculator module~mod_predict_4g_short_range_training_qeq_multiple_structures->module~mod_global_features_helper module~mod_predict_4g_short_range_training_qeq_multiple_structures->module~mod_predict_4g_short_range_training_qeq_single_structure module~mod_predict_4g_short_range_training_qeq_multiple_structures->module~mod_structure_batch_iterator module~mod_predict_4g_short_range_training_qeq_single_structure->module~mod_global_feature_calculator module~mod_predict_all_chunks mod_predict_all_chunks module~mod_predict_all_chunks->module~mod_predict_multiple_structures module~mod_qeq_feature_calculator->module~mod_global_feature_calculator module~mod_runner_interface_bindings->module~mod_global_features_helper module~mod_runner_interface_bindings->module~mod_runner_interface module~mod_runner_interface_bindings->module~mod_enforce_reading module~mod_runner_interface_bindings->module~mod_qeq_feature_calculator module~mod_runner_interface_bindings->module~mod_evaluate_4g_single_structure module~mod_runner_interface_bindings->module~mod_initialize module~mod_structure_batch_iterator->module~mod_global_feature_calculator module~mod_structure_batch_iterator->module~mod_global_features_helper module~mod_train_loop_atomic_property mod_train_loop_atomic_property module~mod_train_loop_atomic_property->module~mod_output_files_and_cost module~mod_train_loop_atomic_property->module~mod_initialize module~mod_train_loop_atomic_property->module~mod_cost_calculator module~mod_train_mode mod_train_mode module~mod_train_mode->module~mod_global_feature_calculator module~mod_train_mode->module~mod_train_loop_short_range module~mod_train_mode->module~mod_ee4g_feature_calculator module~mod_train_mode->module~mod_feature_map_scaling_all_chunks module~mod_train_mode->module~mod_predict_all_chunks module~mod_train_mode->module~mod_qeq_feature_calculator module~mod_train_mode->module~mod_train_loop_atomic_property module~mod_train_mode->module~mod_initialize module~mod_predict_4g_charges_training_qeq_multiple_structures mod_predict_4g_charges_training_qeq_multiple_structures module~mod_train_mode->module~mod_predict_4g_charges_training_qeq_multiple_structures module~mod_train_mode->module~mod_predict_ee4g_feature_calculator_multiple_structures module~mod_train_mode->module~mod_predict_qeq_feature_calculator_multiple_structures module~mod_precalc_coulomb_matrix_all_chunks mod_precalc_coulomb_matrix_all_chunks module~mod_train_mode->module~mod_precalc_coulomb_matrix_all_chunks module~mod_train_loop_4g_charges mod_train_loop_4g_charges module~mod_train_mode->module~mod_train_loop_4g_charges module~mod_write_outfiles_training mod_write_outfiles_training module~mod_train_mode->module~mod_write_outfiles_training program~runner RuNNer program~runner->module~mod_predict_mode program~runner->module~mod_ee4g_feature_calculator program~runner->module~mod_qeq_feature_calculator program~runner->module~mod_train_mode program~runner->module~mod_initialize module~mod_precompute_global_features_all_chunks mod_precompute_global_features_all_chunks program~runner->module~mod_precompute_global_features_all_chunks module~mod_evaluate_4g_single_structure->module~mod_ee4g_feature_calculator module~mod_initialize->module~mod_ee4g_feature_calculator module~mod_initialize->module~mod_qeq_feature_calculator module~mod_post_processing_4g_single_structure->module~mod_ee4g_feature_calculator module~mod_post_processing_4g_single_structure->module~mod_evaluate_4g_single_structure module~mod_precompute_global_features_all_chunks->module~mod_ee4g_feature_calculator module~mod_precompute_global_features_all_chunks->module~mod_qeq_feature_calculator module~mod_precompute_global_features_all_chunks->module~mod_predict_ee4g_feature_calculator_multiple_structures module~mod_precompute_global_features_all_chunks->module~mod_predict_qeq_feature_calculator_multiple_structures module~mod_predict_4g_charges_training_qeq_multiple_structures->module~mod_structure_batch_iterator module~mod_predict_ee4g_feature_calculator_multiple_structures->module~mod_ee4g_feature_calculator module~mod_predict_ee4g_feature_calculator_multiple_structures->module~mod_qeq_feature_calculator module~mod_predict_qeq_feature_calculator_multiple_structures->module~mod_qeq_feature_calculator module~mod_predict_qeq_feature_calculator_multiple_structures->module~mod_structure_batch_iterator module~mod_predict_qeq_feature_calculator_multiple_structures->module~mod_predict_qeq_feature_calculator_single_structure module~mod_predict_qeq_feature_calculator_single_structure->module~mod_qeq_feature_calculator module~mod_output_files_and_cost_4g_charges mod_output_files_and_cost_4g_charges module~mod_output_files_and_cost_4g_charges->module~mod_predict_4g_charges_training_qeq_multiple_structures module~mod_output_files_and_cost_4g_charges->module~mod_cost_calculator module~mod_precalc_coulomb_matrix_all_chunks->module~mod_predict_4g_charges_training_qeq_multiple_structures module~mod_train_energy_multiple_structures->module~mod_initialize module~mod_train_forces_multiple_structures->module~mod_initialize module~mod_train_forces_multiple_structures->module~mod_train_energy_multiple_structures module~mod_train_loop_4g_charges->module~mod_initialize module~mod_train_loop_4g_charges->module~mod_output_files_and_cost_4g_charges module~mod_train_loop_4g_charges->module~mod_cost_calculator module~mod_write_outfiles->module~mod_initialize module~mod_write_outfiles_training->module~mod_write_outfiles module~mod_cost_calculator->module~mod_write_outfiles_training

Derived Types Summary

Name Description
GlobalFeatureStatistics Type to hold the statistics of a global feature map. Used to compute or read the scaling factor...

Procedures Summary

Name Type Description
init Subroutine
set_statistics Subroutine Set the statistics of the global features.
read_statistics_from_file Subroutine Read the statistics of the global features from an ascii file on disk.
write_statistics_to_file Subroutine Write the statistics of the global features to an ascii file on disk.
determine_scaling_factor_and_centering_subtrahend_all_chunks Subroutine Determine the scaling factor and centering subtrahend for the global features of the structure.

Derived Types Details

type GlobalFeatureStatistics

Type to hold the statistics of a global feature map.

Used to compute or read the scaling factor and centering subtrahend needed to scale and center the global features.

Components

  • feat_name : character– Name of the global feature map for which statistics are stored by this type.
  • num_features : integer– The number of global features per atom that at are stored/computed/read by this type.
  • scaling_factor : real(DP) (dim: (:,:))– Scaling factor for the global features. This is used to scale the global features to a range of [0, 1]. The scaling factor is determined by the `determine_scaling_factor_and_centering_subtrahend_all_chunks` routine.
  • centering_subtrahend : real(DP) (dim: (:,:))– Centering subtrahend for the global features. This is used to center the global features around zero. The centering subtrahend is determined by the `determine_scaling_factor_and_centering_subtrahend_all_chunks` routine.
  • statistics : type(StatisticsContainer)– Container for the minimal, maximal and average value and counts of a global feature map. See StatisticsContainer for details.
  • scale_feature_maps : logical
  • center_feature_maps : logical
  • statistics_calculated : logical
  • file_path : character
  • filename_statistics : character

Type-Bound Procedures

Name Attributes Binding
init public ⇒ init
set_statistics public ⇒ set_statistics
read_statistics_from_file public ⇒ read_statistics_from_file
write_statistics_to_file public ⇒ write_statistics_to_file
determine_scaling_factor_and_centering_subtrahend_all_chunks public ⇒ determine_scaling_factor_and_centering_subtrahend_all_chunks

Inherits

type~~globalfeaturestatistics~~InheritsGraph type~globalfeaturestatistics GlobalFeatureStatistics type~statisticscontainer StatisticsContainer type~globalfeaturestatistics->type~statisticscontainer statistics

Inherited By

type~~globalfeaturestatistics~~InheritedByGraph type~globalfeaturestatistics GlobalFeatureStatistics type~globalfeaturecalculator GlobalFeatureCalculator type~globalfeaturecalculator->type~globalfeaturestatistics statistics type~runnerinterface RuNNerInterface type~runnerinterface->type~globalfeaturestatistics qeq_feat_stats type~ee4gfeaturecalculator EE4GFeatureCalculator type~runnerinterface->type~ee4gfeaturecalculator ee4g_calc type~ee4gfeaturecalculator->type~globalfeaturecalculator type~globalfeaturecalculatorptr GlobalFeatureCalculatorPtr type~globalfeaturecalculatorptr->type~globalfeaturecalculator ptr type~qeqfeaturecalculator QEqFeatureCalculator type~qeqfeaturecalculator->type~globalfeaturecalculator

Procedure Details

subroutine init

subroutine init( &
    self, &
    num_features, &
    scale_feature_maps, &
    center_feature_maps, &
    file_path, &
    filename_statistics, &
    feat_name &
)

Arguments

  • self : class(GlobalFeatureStatistics) [inout]
  • num_features : integer [in]
  • scale_feature_maps : logical [in]
  • center_feature_maps : logical [in]
  • file_path : character [in]
  • filename_statistics : character [in]
  • feat_name : character [in]

Called By

proc~~init~2~~CalledByGraph proc~init~2 mod_global_feature_statistics::GlobalFeatureStatistics%init proc~init_global_feature_calculator mod_global_feature_calculator::GlobalFeatureCalculator%init_global_feature_calculator proc~init_global_feature_calculator->proc~init~2 proc~constructor_from_file mod_ee4g_feature_calculator::constructor_from_file proc~constructor_from_file->proc~init_global_feature_calculator proc~constructor_from_file~2 mod_qeq_feature_calculator::constructor_from_file proc~constructor_from_file~2->proc~init_global_feature_calculator proc~predict_4g_no_force_trick_single_structure mod_predict_4g_no_force_trick_single_structure::predict_4g_no_force_trick_single_structure proc~predict_4g_no_force_trick_single_structure->proc~init_global_feature_calculator interface~ee4gfeaturecalculator mod_ee4g_feature_calculator::EE4GFeatureCalculator interface~ee4gfeaturecalculator->proc~constructor_from_file interface~qeqfeaturecalculator mod_qeq_feature_calculator::QEqFeatureCalculator interface~qeqfeaturecalculator->proc~constructor_from_file~2

subroutine set_statistics

subroutine set_statistics( &
    self, &
    statistics_container &
)

Set the statistics of the global features.

Arguments

Called By

proc~~set_statistics~~CalledByGraph proc~set_statistics mod_global_feature_statistics::GlobalFeatureStatistics%set_statistics proc~compute_statistics mod_global_feature_calculator::GlobalFeatureCalculator%compute_statistics proc~compute_statistics->proc~set_statistics proc~train_mode mod_train_mode::train_mode proc~train_mode->proc~compute_statistics program~runner RuNNer program~runner->proc~train_mode

subroutine read_statistics_from_file

subroutine read_statistics_from_file( &
    self &
)

Read the statistics of the global features from an ascii file on disk.

Arguments

Called By

proc~~read_statistics_from_file~~CalledByGraph proc~read_statistics_from_file mod_global_feature_statistics::GlobalFeatureStatistics%read_statistics_from_file proc~enforce_reading_global_feature_calculator mod_enforce_reading::enforce_reading_global_feature_calculator proc~enforce_reading_global_feature_calculator->proc~read_statistics_from_file proc~train_mode mod_train_mode::train_mode proc~train_mode->proc~read_statistics_from_file proc~enforce_reading_weights_and_fm_scaling_data_1d mod_enforce_reading::enforce_reading_weights_and_fm_scaling_data_1d proc~enforce_reading_weights_and_fm_scaling_data_1d->proc~enforce_reading_global_feature_calculator proc~enforce_reading_weights_and_fm_scaling_data_2d mod_enforce_reading::enforce_reading_weights_and_fm_scaling_data_2d proc~enforce_reading_weights_and_fm_scaling_data_2d->proc~enforce_reading_global_feature_calculator proc~predict_mode mod_predict_mode::predict_mode proc~predict_mode->proc~enforce_reading_global_feature_calculator interface~enforce_reading_weights_and_fm_scaling_data mod_enforce_reading::enforce_reading_weights_and_fm_scaling_data proc~predict_mode->interface~enforce_reading_weights_and_fm_scaling_data program~runner RuNNer program~runner->proc~train_mode program~runner->proc~predict_mode interface~enforce_reading_weights_and_fm_scaling_data->proc~enforce_reading_weights_and_fm_scaling_data_1d interface~enforce_reading_weights_and_fm_scaling_data->proc~enforce_reading_weights_and_fm_scaling_data_2d proc~runner_interface_init mod_runner_interface_bindings::runner_interface_init proc~runner_interface_init->interface~enforce_reading_weights_and_fm_scaling_data proc~runner_lammps_interface_init mod_lammps_interface::runner_lammps_interface_init proc~runner_lammps_interface_init->proc~runner_interface_init

subroutine write_statistics_to_file

subroutine write_statistics_to_file( &
    self &
)

Write the statistics of the global features to an ascii file on disk.

Arguments

Called By

proc~~write_statistics_to_file~~CalledByGraph proc~write_statistics_to_file mod_global_feature_statistics::GlobalFeatureStatistics%write_statistics_to_file proc~train_mode mod_train_mode::train_mode proc~train_mode->proc~write_statistics_to_file program~runner RuNNer program~runner->proc~train_mode

subroutine determine_scaling_factor_and_centering_subtrahend_all_chunks

subroutine determine_scaling_factor_and_centering_subtrahend_all_chunks( &
    self, &
    thresh_feature_min_max &
)

Determine the scaling factor and centering subtrahend for the global features of the structure.

Arguments

Called By

proc~~determine_scaling_factor_and_centering_subtrahend_all_chunks~~CalledByGraph proc~determine_scaling_factor_and_centering_subtrahend_all_chunks mod_global_feature_statistics::GlobalFeatureStatistics%determine_scaling_factor_and_centering_subtrahend_all_chunks proc~enforce_reading_global_feature_calculator mod_enforce_reading::enforce_reading_global_feature_calculator proc~enforce_reading_global_feature_calculator->proc~determine_scaling_factor_and_centering_subtrahend_all_chunks proc~train_mode mod_train_mode::train_mode proc~train_mode->proc~determine_scaling_factor_and_centering_subtrahend_all_chunks proc~enforce_reading_weights_and_fm_scaling_data_1d mod_enforce_reading::enforce_reading_weights_and_fm_scaling_data_1d proc~enforce_reading_weights_and_fm_scaling_data_1d->proc~enforce_reading_global_feature_calculator proc~enforce_reading_weights_and_fm_scaling_data_2d mod_enforce_reading::enforce_reading_weights_and_fm_scaling_data_2d proc~enforce_reading_weights_and_fm_scaling_data_2d->proc~enforce_reading_global_feature_calculator proc~predict_mode mod_predict_mode::predict_mode proc~predict_mode->proc~enforce_reading_global_feature_calculator interface~enforce_reading_weights_and_fm_scaling_data mod_enforce_reading::enforce_reading_weights_and_fm_scaling_data proc~predict_mode->interface~enforce_reading_weights_and_fm_scaling_data program~runner RuNNer program~runner->proc~train_mode program~runner->proc~predict_mode interface~enforce_reading_weights_and_fm_scaling_data->proc~enforce_reading_weights_and_fm_scaling_data_1d interface~enforce_reading_weights_and_fm_scaling_data->proc~enforce_reading_weights_and_fm_scaling_data_2d proc~runner_interface_init mod_runner_interface_bindings::runner_interface_init proc~runner_interface_init->interface~enforce_reading_weights_and_fm_scaling_data proc~runner_lammps_interface_init mod_lammps_interface::runner_lammps_interface_init proc~runner_lammps_interface_init->proc~runner_interface_init