metadynamics_types::meta_env_type Type Reference

defines meta_env type More...

Data Fields
logical	do_hills
logical	do_multiple_walkers
logical	extended_lagrange
logical	well_tempered
logical	langevin
logical	use_plumed
character(len=default_path_length)	plumed_input_file
integer	n_colvar
real(kind=dp)	ekin_s
real(kind=dp)	epot_s
real(kind=dp)	dt
real(kind=dp)	avg_temp
real(kind=dp)	epot_walls
logical	tempcontrol
logical	restart
real(kind=dp)	temp_wanted
real(kind=dp)	toll_temp
real(kind=dp)	delta_t
real(kind=dp)	invdt
real(kind=dp)	wtgamma
real(kind=dp)	wttemperature
integer	n_steps
real(kind=dp), pointer	time
type(hills_env_type), pointer	hills_env
type(metavar_type), dimension(:), pointer	metavar
type(multiple_walkers_type), pointer	multiple_walkers
type(mp_para_env_type), pointer	para_env
type(section_vals_type), pointer	metadyn_section
type(rng_stream_type), dimension(:), allocatable	rng
integer	tamcsteps
real(kind=dp)	zdt

Detailed Description

defines meta_env type

Definition at line 94 of file metadynamics_types.F.

Field Documentation

do_hills

logical metadynamics_types::meta_env_type::do_hills

Definition at line 95 of file metadynamics_types.F.

do_multiple_walkers

logical metadynamics_types::meta_env_type::do_multiple_walkers

Definition at line 95 of file metadynamics_types.F.

extended_lagrange

logical metadynamics_types::meta_env_type::extended_lagrange

Definition at line 96 of file metadynamics_types.F.

well_tempered

logical metadynamics_types::meta_env_type::well_tempered

Definition at line 97 of file metadynamics_types.F.

langevin

logical metadynamics_types::meta_env_type::langevin

Definition at line 98 of file metadynamics_types.F.

use_plumed

logical metadynamics_types::meta_env_type::use_plumed

Definition at line 99 of file metadynamics_types.F.

plumed_input_file

character(len=default_path_length) metadynamics_types::meta_env_type::plumed_input_file

Definition at line 100 of file metadynamics_types.F.

n_colvar

integer metadynamics_types::meta_env_type::n_colvar

Definition at line 101 of file metadynamics_types.F.

ekin_s

real(kind=dp) metadynamics_types::meta_env_type::ekin_s

Definition at line 102 of file metadynamics_types.F.

epot_s

real(kind=dp) metadynamics_types::meta_env_type::epot_s

Definition at line 102 of file metadynamics_types.F.

dt

real(kind=dp) metadynamics_types::meta_env_type::dt

Definition at line 102 of file metadynamics_types.F.

avg_temp

real(kind=dp) metadynamics_types::meta_env_type::avg_temp

Definition at line 102 of file metadynamics_types.F.

epot_walls

real(kind=dp) metadynamics_types::meta_env_type::epot_walls

Definition at line 102 of file metadynamics_types.F.

tempcontrol

logical metadynamics_types::meta_env_type::tempcontrol

Definition at line 104 of file metadynamics_types.F.

restart

logical metadynamics_types::meta_env_type::restart

Definition at line 104 of file metadynamics_types.F.

temp_wanted

real(kind=dp) metadynamics_types::meta_env_type::temp_wanted

Definition at line 105 of file metadynamics_types.F.

toll_temp

real(kind=dp) metadynamics_types::meta_env_type::toll_temp

Definition at line 105 of file metadynamics_types.F.

delta_t

real(kind=dp) metadynamics_types::meta_env_type::delta_t

Definition at line 106 of file metadynamics_types.F.

invdt

real(kind=dp) metadynamics_types::meta_env_type::invdt

Definition at line 106 of file metadynamics_types.F.

wtgamma

real(kind=dp) metadynamics_types::meta_env_type::wtgamma

Definition at line 106 of file metadynamics_types.F.

wttemperature

real(kind=dp) metadynamics_types::meta_env_type::wttemperature

Definition at line 106 of file metadynamics_types.F.

n_steps

integer metadynamics_types::meta_env_type::n_steps

Definition at line 108 of file metadynamics_types.F.

time

real(kind=dp), pointer metadynamics_types::meta_env_type::time

Definition at line 112 of file metadynamics_types.F.

hills_env

type(hills_env_type), pointer metadynamics_types::meta_env_type::hills_env

Definition at line 113 of file metadynamics_types.F.

metavar

type(metavar_type), dimension(:), pointer metadynamics_types::meta_env_type::metavar

Definition at line 114 of file metadynamics_types.F.

multiple_walkers

type(multiple_walkers_type), pointer metadynamics_types::meta_env_type::multiple_walkers

Definition at line 115 of file metadynamics_types.F.

para_env

type(mp_para_env_type), pointer metadynamics_types::meta_env_type::para_env

Definition at line 116 of file metadynamics_types.F.

metadyn_section

type(section_vals_type), pointer metadynamics_types::meta_env_type::metadyn_section

Definition at line 117 of file metadynamics_types.F.

rng

type(rng_stream_type), dimension(:), allocatable metadynamics_types::meta_env_type::rng

Definition at line 118 of file metadynamics_types.F.

tamcsteps

integer metadynamics_types::meta_env_type::tamcsteps

Definition at line 120 of file metadynamics_types.F.

zdt

real(kind=dp) metadynamics_types::meta_env_type::zdt

Definition at line 121 of file metadynamics_types.F.

---

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

• metadynamics_types.F