qs_harris_types::harris_type Type Reference

Contains information on the Harris method. More...

Data Fields
integer	energy_functional = 0
integer	density_source = 0
integer	orbital_basis = 0
type(harris_energy_type)	energy
type(harris_rhoin_type)	rhoin
type(pw_r3d_rs_type)	vh_rspace = pw_r3d_rs_type()
type(pw_r3d_rs_type), dimension(:), pointer	vxc_rspace => Null()
logical	debug_forces = .FALSE.
logical	debug_stress = .FALSE.

Detailed Description

Contains information on the Harris method.

History

07.2024 created

Author

JGH

Definition at line 63 of file qs_harris_types.F.

Field Documentation

energy_functional

integer qs_harris_types::harris_type::energy_functional = 0

Definition at line 64 of file qs_harris_types.F.

density_source

integer qs_harris_types::harris_type::density_source = 0

Definition at line 65 of file qs_harris_types.F.

orbital_basis

integer qs_harris_types::harris_type::orbital_basis = 0

Definition at line 66 of file qs_harris_types.F.

energy

type(harris_energy_type) qs_harris_types::harris_type::energy

Definition at line 68 of file qs_harris_types.F.

rhoin

type(harris_rhoin_type) qs_harris_types::harris_type::rhoin

Definition at line 70 of file qs_harris_types.F.

vh_rspace

type(pw_r3d_rs_type) qs_harris_types::harris_type::vh_rspace = pw_r3d_rs_type()

Definition at line 72 of file qs_harris_types.F.

vxc_rspace

type(pw_r3d_rs_type), dimension(:), pointer qs_harris_types::harris_type::vxc_rspace => Null()

Definition at line 73 of file qs_harris_types.F.

debug_forces

logical qs_harris_types::harris_type::debug_forces = .FALSE.

Definition at line 76 of file qs_harris_types.F.

debug_stress

logical qs_harris_types::harris_type::debug_stress = .FALSE.

Definition at line 77 of file qs_harris_types.F.

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

• qs_harris_types.F