Quantum 3xplorer (Q3)
Loading...
Searching...
No Matches
init.hpp
Go to the documentation of this file.
1
#pragma once
2
3
/**
4
* PlanewaveKohnShamChargeDensityCheckpoint — planewave-level base.
5
*
6
* Knows about planewave representation (G-vectors, Miller indices)
7
* but not about the specific binary format (QE, HDF5, etc.)
8
*/
9
10
#include "
io/charge_density/kohn_sham/init.hpp
"
11
#include "
layer_4_computation/state/kohn_sham/planewave/norm_conserving/init.hpp
"
12
13
namespace
q3
{
14
15
class
PlanewaveKohnShamChargeDensityCheckpoint
:
public
KohnShamChargeDensityCheckpoint
{
16
public
:
17
explicit
PlanewaveKohnShamChargeDensityCheckpoint
(
18
const
NormConservingPlanewaveKohnShamSCFState
& scf_state)
19
:
scf_state_
(scf_state) {}
20
21
protected
:
22
const
NormConservingPlanewaveKohnShamSCFState
&
scf_state_
;
23
};
24
25
}
// namespace q3
q3::KohnShamChargeDensityCheckpoint
Definition
init.hpp:14
q3::PlanewaveKohnShamChargeDensityCheckpoint
Definition
init.hpp:15
q3::PlanewaveKohnShamChargeDensityCheckpoint::PlanewaveKohnShamChargeDensityCheckpoint
PlanewaveKohnShamChargeDensityCheckpoint(const NormConservingPlanewaveKohnShamSCFState &scf_state)
Definition
init.hpp:17
q3::PlanewaveKohnShamChargeDensityCheckpoint::scf_state_
const NormConservingPlanewaveKohnShamSCFState & scf_state_
Definition
init.hpp:22
init.hpp
init.hpp
q3
Definition
q3_core_api.hpp:33
q3::NormConservingPlanewaveKohnShamSCFState
Definition
init.hpp:31
src
io
charge_density
kohn_sham
planewave
checkpoint
init.hpp
Generated by
1.9.8