derived_types::wl_params Type Reference

Derived type for Wang-Landau sampling parameters. More...

Public Attributes
integer	mc_sweeps
integer	bins
integer	num_windows
integer	bin_overlap
real	tolerance
real	flatness
real	wl_f
real	energy_min
real	energy_max
integer	radial_samples

Detailed Description

Derived type for Wang-Landau sampling parameters.

wl_params is a derived type consiting various data for Wang-Landau sampling.

Author

H. J. Naguszewski

Date

2024

Parameters

mc_sweeps	Number of sweeps (each sweep is n_atoms mc steps)
bins	Number of bins across energy range
num_windows	Number of energy windows
bin_overlap	Number of bins in the overlap region
tolerance	Tolerance for Wang-Landau
wl_f	Flatness for Wang-Landau histogram
energy_min	Energy range minimum
energy_max	Energy range maximum
T	Temperature to use for dynamics
radial_samples	Number of radial density samples to draw per bin

Definition at line 313 of file derived_types.f90.

Member Data Documentation

bin_overlap

integer derived_types::wl_params::bin_overlap

Definition at line 322 of file derived_types.f90.

    integer :: bin_overlap

bins

integer derived_types::wl_params::bins

Definition at line 318 of file derived_types.f90.

    integer :: bins

energy_max

real derived_types::wl_params::energy_max

Definition at line 332 of file derived_types.f90.

    real :: energy_max

energy_min

real derived_types::wl_params::energy_min

Definition at line 330 of file derived_types.f90.

    real :: energy_min

flatness

real derived_types::wl_params::flatness

Definition at line 326 of file derived_types.f90.

    real :: flatness

mc_sweeps

integer derived_types::wl_params::mc_sweeps

Definition at line 316 of file derived_types.f90.

    integer :: mc_sweeps

num_windows

integer derived_types::wl_params::num_windows

Definition at line 320 of file derived_types.f90.

    integer :: num_windows

radial_samples

integer derived_types::wl_params::radial_samples

Definition at line 334 of file derived_types.f90.

    integer :: radial_samples

tolerance

real derived_types::wl_params::tolerance

Definition at line 324 of file derived_types.f90.

    real :: tolerance

wl_f

real derived_types::wl_params::wl_f

Definition at line 328 of file derived_types.f90.

    real :: wl_f

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

• src/derived_types.f90