tblite_api_result::vp_result Type Reference

Void pointer holding results of a calculation. More...

Data Fields
real(wp), allocatable	energy
	Single point energy.
real(wp), dimension(:, :), allocatable	gradient
	Molecular gradient.
real(wp), dimension(:, :), allocatable	sigma
	Virial.
type(wavefunction_type), allocatable	wfn
	Wavefunction.
type(results_type), allocatable	results
	Additional results.

Detailed Description

Void pointer holding results of a calculation.

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The documentation for this type was generated from the following file:

• /home/runner/work/tblite/tblite/src/tblite/api/result.f90