metadynamics_types::hills_env_type Type Reference

defines types for HILLS More...

Data Fields
logical	restart = .FALSE.
logical	slow_growth = .FALSE.
logical	wtcontrol = .FALSE.
real(kind=dp)	ww = 0.0_dp
real(kind=dp)	min_disp = 0.0_dp
real(kind=dp)	energy = 0.0_dp
integer	n_hills = -1
integer	nt_hills = -1
integer	min_nt_hills = -1
integer	old_hill_number = -1
integer	old_hill_step = -1
real(kind=dp), dimension(:, :), pointer	ss_history => NULL()
real(kind=dp), dimension(:, :), pointer	delta_s_history => NULL()
real(kind=dp), dimension(:), pointer	ww_history => NULL()
real(kind=dp), dimension(:), pointer	invdt_history => NULL()
real(kind=dp)	tail_cutoff = 0.0_dp
integer	p_exp = -1
integer	q_exp = -1

Detailed Description

defines types for HILLS

Definition at line 40 of file metadynamics_types.F.

Field Documentation

restart

logical metadynamics_types::hills_env_type::restart = .FALSE.

Definition at line 41 of file metadynamics_types.F.

slow_growth

logical metadynamics_types::hills_env_type::slow_growth = .FALSE.

Definition at line 41 of file metadynamics_types.F.

wtcontrol

logical metadynamics_types::hills_env_type::wtcontrol = .FALSE.

Definition at line 41 of file metadynamics_types.F.

ww

real(kind=dp) metadynamics_types::hills_env_type::ww = 0.0_dp

Definition at line 43 of file metadynamics_types.F.

min_disp

real(kind=dp) metadynamics_types::hills_env_type::min_disp = 0.0_dp

Definition at line 43 of file metadynamics_types.F.

energy

real(kind=dp) metadynamics_types::hills_env_type::energy = 0.0_dp

Definition at line 43 of file metadynamics_types.F.

n_hills

integer metadynamics_types::hills_env_type::n_hills = -1

Definition at line 44 of file metadynamics_types.F.

nt_hills

integer metadynamics_types::hills_env_type::nt_hills = -1

Definition at line 44 of file metadynamics_types.F.

min_nt_hills

integer metadynamics_types::hills_env_type::min_nt_hills = -1

Definition at line 44 of file metadynamics_types.F.

old_hill_number

integer metadynamics_types::hills_env_type::old_hill_number = -1

Definition at line 45 of file metadynamics_types.F.

old_hill_step

integer metadynamics_types::hills_env_type::old_hill_step = -1

Definition at line 45 of file metadynamics_types.F.

ss_history

real(kind=dp), dimension(:, :), pointer metadynamics_types::hills_env_type::ss_history => NULL()

Definition at line 47 of file metadynamics_types.F.

delta_s_history

real(kind=dp), dimension(:, :), pointer metadynamics_types::hills_env_type::delta_s_history => NULL()

Definition at line 48 of file metadynamics_types.F.

ww_history

real(kind=dp), dimension(:), pointer metadynamics_types::hills_env_type::ww_history => NULL()

Definition at line 49 of file metadynamics_types.F.

invdt_history

real(kind=dp), dimension(:), pointer metadynamics_types::hills_env_type::invdt_history => NULL()

Definition at line 50 of file metadynamics_types.F.

tail_cutoff

real(kind=dp) metadynamics_types::hills_env_type::tail_cutoff = 0.0_dp

Definition at line 52 of file metadynamics_types.F.

p_exp

integer metadynamics_types::hills_env_type::p_exp = -1

Definition at line 53 of file metadynamics_types.F.

q_exp

integer metadynamics_types::hills_env_type::q_exp = -1

Definition at line 53 of file metadynamics_types.F.

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

• metadynamics_types.F