The PWDFT environment type. More...

Data Fields
type(mp_para_env_type), pointer	para_env => NULL()

type(qs_subsys_type), pointer	qs_subsys => NULL()

type(section_vals_type), pointer	pwdft_input => NULL()

type(section_vals_type), pointer	force_env_input => NULL()

type(section_vals_type), pointer	xc_input => NULL()

type(pwdft_energy_type), pointer	energy => NULL()

real(kind=dp), dimension(:, :), pointer	forces => NULL()

real(kind=dp), dimension(3, 3)	stress = 0.0_dp

character(len=80), dimension(16)	xc_func = ""

type(c_ptr)	sctx = C_NULL_PTR

type(c_ptr)	gs_handler = C_NULL_PTR

type(c_ptr)	ks_handler = C_NULL_PTR

Detailed Description

The PWDFT environment type.

History: 07.2018 initial create

Author: JHU

Definition at line 67 of file pwdft_environment_types.F.

Field Documentation

◆ para_env

type(mp_para_env_type), pointer pwdft_environment_types::pwdft_environment_type::para_env => NULL()

Definition at line 68 of file pwdft_environment_types.F.

◆ qs_subsys

type(qs_subsys_type), pointer pwdft_environment_types::pwdft_environment_type::qs_subsys => NULL()

Definition at line 69 of file pwdft_environment_types.F.

◆ pwdft_input

type(section_vals_type), pointer pwdft_environment_types::pwdft_environment_type::pwdft_input => NULL()

Definition at line 70 of file pwdft_environment_types.F.

◆ force_env_input

type(section_vals_type), pointer pwdft_environment_types::pwdft_environment_type::force_env_input => NULL()

Definition at line 71 of file pwdft_environment_types.F.

◆ xc_input

type(section_vals_type), pointer pwdft_environment_types::pwdft_environment_type::xc_input => NULL()

Definition at line 72 of file pwdft_environment_types.F.

◆ energy

type(pwdft_energy_type), pointer pwdft_environment_types::pwdft_environment_type::energy => NULL()

Definition at line 73 of file pwdft_environment_types.F.

◆ forces

real(kind=dp), dimension(:, :), pointer pwdft_environment_types::pwdft_environment_type::forces => NULL()

Definition at line 74 of file pwdft_environment_types.F.

◆ stress

real(kind=dp), dimension(3, 3) pwdft_environment_types::pwdft_environment_type::stress = 0.0_dp

Definition at line 75 of file pwdft_environment_types.F.

◆ xc_func

character(len=80), dimension(16) pwdft_environment_types::pwdft_environment_type::xc_func = ""

Definition at line 77 of file pwdft_environment_types.F.

◆ sctx

type(c_ptr) pwdft_environment_types::pwdft_environment_type::sctx = C_NULL_PTR

Definition at line 83 of file pwdft_environment_types.F.

◆ gs_handler

type(c_ptr) pwdft_environment_types::pwdft_environment_type::gs_handler = C_NULL_PTR

Definition at line 84 of file pwdft_environment_types.F.

◆ ks_handler

type(c_ptr) pwdft_environment_types::pwdft_environment_type::ks_handler = C_NULL_PTR

Definition at line 85 of file pwdft_environment_types.F.

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

pwdft_environment_types.F

Data Fields