metadynamics_types::metavar_type Type Reference

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

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

Detailed Description

defines types for COLVAR used in the metadynamics

Definition at line 68 of file metadynamics_types.F.

Field Documentation

icolvar

integer metadynamics_types::metavar_type::icolvar

Definition at line 69 of file metadynamics_types.F.

do_wall

logical metadynamics_types::metavar_type::do_wall

Definition at line 70 of file metadynamics_types.F.

periodic

logical metadynamics_types::metavar_type::periodic

Definition at line 70 of file metadynamics_types.F.

mass

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

Definition at line 71 of file metadynamics_types.F.

lambda

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

Definition at line 71 of file metadynamics_types.F.

vvp

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

Definition at line 71 of file metadynamics_types.F.

gamma

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

Definition at line 72 of file metadynamics_types.F.

epot_s

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

Definition at line 73 of file metadynamics_types.F.

delta_s

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

Definition at line 73 of file metadynamics_types.F.

epot_walls

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

Definition at line 73 of file metadynamics_types.F.

ss

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

Definition at line 74 of file metadynamics_types.F.

ss0

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

Definition at line 74 of file metadynamics_types.F.

ff_s

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

Definition at line 74 of file metadynamics_types.F.

ff_hills

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

Definition at line 74 of file metadynamics_types.F.

ff_walls

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

Definition at line 74 of file metadynamics_types.F.

walls

type(wall_type), dimension(:), pointer metadynamics_types::metavar_type::walls

Definition at line 75 of file metadynamics_types.F.

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

• metadynamics_types.F