Data Fields
integer	nfree = 0

integer	nfree_shell = 0

real(kind=dp)	constant = 0.0_dp

real(kind=dp)	delta_cons = 0.0_dp

real(kind=dp)	delta_epot = 0.0_dp

real(kind=dp)	epot = 0.0_dp

real(kind=dp)	ekin = 0.0_dp

real(kind=dp)	ekin_qm = 0.0_dp

real(kind=dp)	temp_part = 0.0_dp

real(kind=dp)	temp_qm = 0.0_dp

real(kind=dp)	temp_baro = 0.0_dp

real(kind=dp)	ekin_coefs = 0.0_dp

real(kind=dp)	temp_coefs = 0.0_dp

real(kind=dp)	ekin_shell = 0.0_dp

real(kind=dp)	temp_shell = 0.0_dp

real(kind=dp)	thermostat_part_kin = 0.0_dp

real(kind=dp)	thermostat_part_pot = 0.0_dp

real(kind=dp)	thermostat_fast_kin = 0.0_dp

real(kind=dp)	thermostat_fast_pot = 0.0_dp

real(kind=dp)	thermostat_slow_kin = 0.0_dp

real(kind=dp)	thermostat_slow_pot = 0.0_dp

real(kind=dp)	thermostat_baro_kin = 0.0_dp

real(kind=dp)	thermostat_baro_pot = 0.0_dp

real(kind=dp)	thermostat_coef_kin = 0.0_dp

real(kind=dp)	thermostat_coef_pot = 0.0_dp

real(kind=dp)	thermostat_shell_kin = 0.0_dp

real(kind=dp)	thermostat_shell_pot = 0.0_dp

real(kind=dp)	baro_kin = 0.0_dp

real(kind=dp)	baro_pot = 0.0_dp

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

real(kind=dp)	total_mass = 0.0_dp

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

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

integer, dimension(:), pointer	nfree_kind => NULL()

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

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

integer, dimension(:), pointer	nfree_shell_kind => NULL()

Detailed Description

Definition at line 22 of file md_ener_types.F.

Field Documentation

◆ nfree

integer md_ener_types::md_ener_type::nfree = 0

Definition at line 23 of file md_ener_types.F.

◆ nfree_shell

integer md_ener_types::md_ener_type::nfree_shell = 0

Definition at line 23 of file md_ener_types.F.

◆ constant

real(kind=dp) md_ener_types::md_ener_type::constant = 0.0_dp

Definition at line 24 of file md_ener_types.F.

◆ delta_cons

real(kind=dp) md_ener_types::md_ener_type::delta_cons = 0.0_dp

Definition at line 25 of file md_ener_types.F.

◆ delta_epot

real(kind=dp) md_ener_types::md_ener_type::delta_epot = 0.0_dp

Definition at line 25 of file md_ener_types.F.

◆ epot

real(kind=dp) md_ener_types::md_ener_type::epot = 0.0_dp

Definition at line 26 of file md_ener_types.F.

◆ ekin

real(kind=dp) md_ener_types::md_ener_type::ekin = 0.0_dp

Definition at line 27 of file md_ener_types.F.

◆ ekin_qm

real(kind=dp) md_ener_types::md_ener_type::ekin_qm = 0.0_dp

Definition at line 27 of file md_ener_types.F.

◆ temp_part

real(kind=dp) md_ener_types::md_ener_type::temp_part = 0.0_dp

Definition at line 28 of file md_ener_types.F.

◆ temp_qm

real(kind=dp) md_ener_types::md_ener_type::temp_qm = 0.0_dp

Definition at line 28 of file md_ener_types.F.

◆ temp_baro

real(kind=dp) md_ener_types::md_ener_type::temp_baro = 0.0_dp

Definition at line 29 of file md_ener_types.F.

◆ ekin_coefs

real(kind=dp) md_ener_types::md_ener_type::ekin_coefs = 0.0_dp

Definition at line 30 of file md_ener_types.F.

◆ temp_coefs

real(kind=dp) md_ener_types::md_ener_type::temp_coefs = 0.0_dp

Definition at line 31 of file md_ener_types.F.

◆ ekin_shell

real(kind=dp) md_ener_types::md_ener_type::ekin_shell = 0.0_dp

Definition at line 32 of file md_ener_types.F.

◆ temp_shell

real(kind=dp) md_ener_types::md_ener_type::temp_shell = 0.0_dp

Definition at line 32 of file md_ener_types.F.

◆ thermostat_part_kin

real(kind=dp) md_ener_types::md_ener_type::thermostat_part_kin = 0.0_dp

Definition at line 33 of file md_ener_types.F.

◆ thermostat_part_pot

real(kind=dp) md_ener_types::md_ener_type::thermostat_part_pot = 0.0_dp

Definition at line 33 of file md_ener_types.F.

◆ thermostat_fast_kin

real(kind=dp) md_ener_types::md_ener_type::thermostat_fast_kin = 0.0_dp

Definition at line 34 of file md_ener_types.F.

◆ thermostat_fast_pot

real(kind=dp) md_ener_types::md_ener_type::thermostat_fast_pot = 0.0_dp

Definition at line 34 of file md_ener_types.F.

◆ thermostat_slow_kin

real(kind=dp) md_ener_types::md_ener_type::thermostat_slow_kin = 0.0_dp

Definition at line 35 of file md_ener_types.F.

◆ thermostat_slow_pot

real(kind=dp) md_ener_types::md_ener_type::thermostat_slow_pot = 0.0_dp

Definition at line 35 of file md_ener_types.F.

◆ thermostat_baro_kin

real(kind=dp) md_ener_types::md_ener_type::thermostat_baro_kin = 0.0_dp

Definition at line 36 of file md_ener_types.F.

◆ thermostat_baro_pot

real(kind=dp) md_ener_types::md_ener_type::thermostat_baro_pot = 0.0_dp

Definition at line 36 of file md_ener_types.F.

◆ thermostat_coef_kin

real(kind=dp) md_ener_types::md_ener_type::thermostat_coef_kin = 0.0_dp

Definition at line 37 of file md_ener_types.F.

◆ thermostat_coef_pot

real(kind=dp) md_ener_types::md_ener_type::thermostat_coef_pot = 0.0_dp

Definition at line 37 of file md_ener_types.F.

◆ thermostat_shell_kin

real(kind=dp) md_ener_types::md_ener_type::thermostat_shell_kin = 0.0_dp

Definition at line 38 of file md_ener_types.F.

◆ thermostat_shell_pot

real(kind=dp) md_ener_types::md_ener_type::thermostat_shell_pot = 0.0_dp

Definition at line 38 of file md_ener_types.F.

◆ baro_kin

real(kind=dp) md_ener_types::md_ener_type::baro_kin = 0.0_dp

Definition at line 39 of file md_ener_types.F.

◆ baro_pot

real(kind=dp) md_ener_types::md_ener_type::baro_pot = 0.0_dp

Definition at line 39 of file md_ener_types.F.

◆ vcom

real(kind=dp), dimension(3) md_ener_types::md_ener_type::vcom = 0.0_dp

Definition at line 40 of file md_ener_types.F.

◆ total_mass

real(kind=dp) md_ener_types::md_ener_type::total_mass = 0.0_dp

Definition at line 40 of file md_ener_types.F.

◆ ekin_kind

real(kind=dp), dimension(:), pointer md_ener_types::md_ener_type::ekin_kind => NULL()

Definition at line 41 of file md_ener_types.F.

◆ temp_kind

real(kind=dp), dimension(:), pointer md_ener_types::md_ener_type::temp_kind => NULL()

Definition at line 42 of file md_ener_types.F.

◆ nfree_kind

integer, dimension(:), pointer md_ener_types::md_ener_type::nfree_kind => NULL()

Definition at line 43 of file md_ener_types.F.

◆ ekin_shell_kind

real(kind=dp), dimension(:), pointer md_ener_types::md_ener_type::ekin_shell_kind => NULL()

Definition at line 44 of file md_ener_types.F.

◆ temp_shell_kind

real(kind=dp), dimension(:), pointer md_ener_types::md_ener_type::temp_shell_kind => NULL()

Definition at line 45 of file md_ener_types.F.

◆ nfree_shell_kind

integer, dimension(:), pointer md_ener_types::md_ener_type::nfree_shell_kind => NULL()

Definition at line 46 of file md_ener_types.F.

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

motion/md_ener_types.F

Data Fields