derived_types::tmmc_params Type Reference

Derived type for TMMC parameters. More...

Public Attributes
integer	mc_sweeps
integer	bins
integer	num_windows
real	bin_overlap
integer	weight_update
real	energy_min
real	energy_max
real	t

Detailed Description

Derived type for TMMC parameters.

tmmc_params is a structure consiting various data for TMMC.

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
weight_update	Number of bias weight updates
energy_min	Energy range minimum
energy_max	Energy range maximum
T	Temperature to use for dynamics

Definition at line 273 of file derived_types.f90.

Member Data Documentation

bin_overlap

real derived_types::tmmc_params::bin_overlap

Definition at line 282 of file derived_types.f90.

    real :: bin_overlap

bins

integer derived_types::tmmc_params::bins

Definition at line 278 of file derived_types.f90.

    integer :: bins

energy_max

real derived_types::tmmc_params::energy_max

Definition at line 288 of file derived_types.f90.

    real :: energy_max

energy_min

real derived_types::tmmc_params::energy_min

Definition at line 286 of file derived_types.f90.

    real :: energy_min

mc_sweeps

integer derived_types::tmmc_params::mc_sweeps

Definition at line 276 of file derived_types.f90.

    integer :: mc_sweeps

num_windows

integer derived_types::tmmc_params::num_windows

Definition at line 280 of file derived_types.f90.

    integer :: num_windows

t

real derived_types::tmmc_params::t

Definition at line 290 of file derived_types.f90.

    real :: T

weight_update

integer derived_types::tmmc_params::weight_update

Definition at line 284 of file derived_types.f90.

    integer :: weight_update

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

• src/derived_types.f90