qs_wf_history_types.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	qs_wf_history_types::qs_wf_snapshot_type
	represent a past snapshot of the wavefunction. some elements might not be associated (to spare memory) depending on how the snapshot was taken More...
type	qs_wf_history_types::qs_wf_history_type
	keeps track of the previous wavefunctions and can extrapolate them for the next step of md More...
type	qs_wf_history_types::qs_wf_history_p_type
	to create arrays of pointers to qs_wf_history_type More...

Modules
module	qs_wf_history_types
	interpolate the wavefunctions to speed up the convergence when doing MD

Functions/Subroutines
subroutine	qs_wf_history_types::wfs_release (snapshot)
	releases a snapshot of a wavefunction (see doc/ReferenceCounting.html)
subroutine, public	qs_wf_history_types::wfi_retain (wf_history)
	retains a wf history (see doc/ReferenceCounting.html)
subroutine, public	qs_wf_history_types::wfi_release (wf_history)
	releases a wf_history of a wavefunction (see doc/ReferenceCounting.html)
type(qs_wf_snapshot_type) function, pointer, public	qs_wf_history_types::wfi_get_snapshot (wf_history, wf_index)
	returns a snapshot, the first being the latest snapshot