Data Fields
logical	first_time = .FALSE.

logical	ehrenfest_md = .FALSE.

integer, pointer	itimes => NULL()

real(kind=dp), pointer	used_time => NULL()

real(kind=dp), pointer	t => NULL()

real(kind=dp), pointer	constant => NULL()

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

type(cell_type), pointer	cell => NULL()

type(force_env_type), pointer	force_env => NULL()

type(md_ener_type), pointer	md_ener => NULL()

type(thermostats_type), pointer	thermostats => NULL()

type(barostat_type), pointer	barostat => NULL()

type(reftraj_type), pointer	reftraj => NULL()

type(free_energy_type), pointer	fe_env => NULL()

type(simpar_type), pointer	simpar => NULL()

type(average_quantities_type), pointer	averages => NULL()

type(thermal_regions_type), pointer	thermal_regions => NULL()

Detailed Description

Definition at line 53 of file md_environment_types.F.

Field Documentation

◆ first_time

logical md_environment_types::md_environment_type::first_time = .FALSE.

Definition at line 58 of file md_environment_types.F.

◆ ehrenfest_md

logical md_environment_types::md_environment_type::ehrenfest_md = .FALSE.

Definition at line 58 of file md_environment_types.F.

◆ itimes

integer, pointer md_environment_types::md_environment_type::itimes => NULL()

Definition at line 59 of file md_environment_types.F.

◆ used_time

real(kind=dp), pointer md_environment_types::md_environment_type::used_time => NULL()

Definition at line 60 of file md_environment_types.F.

◆ t

real(kind=dp), pointer md_environment_types::md_environment_type::t => NULL()

Definition at line 60 of file md_environment_types.F.

◆ constant

real(kind=dp), pointer md_environment_types::md_environment_type::constant => NULL()

Definition at line 61 of file md_environment_types.F.

◆ para_env

type(mp_para_env_type), pointer md_environment_types::md_environment_type::para_env => NULL()

Definition at line 62 of file md_environment_types.F.

◆ cell

type(cell_type), pointer md_environment_types::md_environment_type::cell => NULL()

Definition at line 63 of file md_environment_types.F.

◆ force_env

type(force_env_type), pointer md_environment_types::md_environment_type::force_env => NULL()

Definition at line 64 of file md_environment_types.F.

◆ md_ener

type(md_ener_type), pointer md_environment_types::md_environment_type::md_ener => NULL()

Definition at line 65 of file md_environment_types.F.

◆ thermostats

type(thermostats_type), pointer md_environment_types::md_environment_type::thermostats => NULL()

Definition at line 66 of file md_environment_types.F.

◆ barostat

type(barostat_type), pointer md_environment_types::md_environment_type::barostat => NULL()

Definition at line 67 of file md_environment_types.F.

◆ reftraj

type(reftraj_type), pointer md_environment_types::md_environment_type::reftraj => NULL()

Definition at line 68 of file md_environment_types.F.

◆ fe_env

type(free_energy_type), pointer md_environment_types::md_environment_type::fe_env => NULL()

Definition at line 69 of file md_environment_types.F.

◆ simpar

type(simpar_type), pointer md_environment_types::md_environment_type::simpar => NULL()

Definition at line 70 of file md_environment_types.F.

◆ averages

type(average_quantities_type), pointer md_environment_types::md_environment_type::averages => NULL()

Definition at line 71 of file md_environment_types.F.

◆ thermal_regions

type(thermal_regions_type), pointer md_environment_types::md_environment_type::thermal_regions => NULL()

Definition at line 72 of file md_environment_types.F.

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

motion/md_environment_types.F

Data Fields