skala_torch_api.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	skala_torch_api::skala_torch_model_type

Modules
module	skala_torch_api
	Small CP2K wrapper around the SKALA TorchScript functional protocol.

Functions/Subroutines
subroutine, public	skala_torch_api::skala_torch_model_load (model, filename)
	Load a SKALA TorchScript model and its feature metadata.
subroutine, public	skala_torch_api::skala_torch_model_release (model)
	Release a loaded SKALA TorchScript model.
logical function, public	skala_torch_api::skala_torch_model_needs_feature (model, feature)
	Check whether a loaded SKALA model requests a feature.
integer function, public	skala_torch_api::skala_torch_model_protocol_version (model)
	Return the loaded SKALA TorchScript protocol version.
subroutine, public	skala_torch_api::skala_torch_model_get_exc_density (model, inputs, exc_density)
	Evaluate the SKALA exchange-correlation energy density.
subroutine, public	skala_torch_api::skala_torch_model_get_exc (model, inputs, grid_weights, exc_tensor, exc)
	Evaluate the weighted SKALA exchange-correlation energy.