metadynamics_types::metavar_type Type Reference

defines types for COLVAR used in the metadynamics More...

Data Fields
integer	icolvar = -1
logical	do_wall = .FALSE.
logical	periodic = .FALSE.
real(kind=dp)	mass = 0.0_dp
real(kind=dp)	lambda = 0.0_dp
real(kind=dp)	vvp = 0.0_dp
real(kind=dp)	gamma = 0.0_dp
real(kind=dp)	epot_s = 0.0_dp
real(kind=dp)	delta_s = 0.0_dp
real(kind=dp)	epot_walls = 0.0_dp
real(kind=dp)	ss = 0.0_dp
real(kind=dp)	ss0 = 0.0_dp
real(kind=dp)	ff_s = 0.0_dp
real(kind=dp)	ff_hills = 0.0_dp
real(kind=dp)	ff_walls = 0.0_dp
type(wall_type), dimension(:), pointer	walls => NULL()

Detailed Description

defines types for COLVAR used in the metadynamics

Definition at line 69 of file metadynamics_types.F.

Field Documentation

icolvar

integer metadynamics_types::metavar_type::icolvar = -1

Definition at line 70 of file metadynamics_types.F.

do_wall

logical metadynamics_types::metavar_type::do_wall = .FALSE.

Definition at line 71 of file metadynamics_types.F.

periodic

logical metadynamics_types::metavar_type::periodic = .FALSE.

Definition at line 71 of file metadynamics_types.F.

mass

real(kind=dp) metadynamics_types::metavar_type::mass = 0.0_dp

Definition at line 72 of file metadynamics_types.F.

lambda

real(kind=dp) metadynamics_types::metavar_type::lambda = 0.0_dp

Definition at line 72 of file metadynamics_types.F.

vvp

real(kind=dp) metadynamics_types::metavar_type::vvp = 0.0_dp

Definition at line 72 of file metadynamics_types.F.

gamma

real(kind=dp) metadynamics_types::metavar_type::gamma = 0.0_dp

Definition at line 73 of file metadynamics_types.F.

epot_s

real(kind=dp) metadynamics_types::metavar_type::epot_s = 0.0_dp

Definition at line 74 of file metadynamics_types.F.

delta_s

real(kind=dp) metadynamics_types::metavar_type::delta_s = 0.0_dp

Definition at line 74 of file metadynamics_types.F.

epot_walls

real(kind=dp) metadynamics_types::metavar_type::epot_walls = 0.0_dp

Definition at line 74 of file metadynamics_types.F.

ss

real(kind=dp) metadynamics_types::metavar_type::ss = 0.0_dp

Definition at line 75 of file metadynamics_types.F.

ss0

real(kind=dp) metadynamics_types::metavar_type::ss0 = 0.0_dp

Definition at line 75 of file metadynamics_types.F.

ff_s

real(kind=dp) metadynamics_types::metavar_type::ff_s = 0.0_dp

Definition at line 75 of file metadynamics_types.F.

ff_hills

real(kind=dp) metadynamics_types::metavar_type::ff_hills = 0.0_dp

Definition at line 75 of file metadynamics_types.F.

ff_walls

real(kind=dp) metadynamics_types::metavar_type::ff_walls = 0.0_dp

Definition at line 75 of file metadynamics_types.F.

walls

type(wall_type), dimension(:), pointer metadynamics_types::metavar_type::walls => NULL()

Definition at line 76 of file metadynamics_types.F.

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

• metadynamics_types.F