metadynamics.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	metadynamics
	Performs the metadynamics calculation.

Functions/Subroutines
subroutine, public	metadynamics::metadyn_initialise_plumed (force_env, simpar, itimes)
	...
subroutine, public	metadynamics::metadyn_finalise_plumed ()
	makes sure PLUMED is shut down cleanly
subroutine, public	metadynamics::metadyn_integrator (force_env, itimes, vel, rand)
	General driver for applying metadynamics.
subroutine, public	metadynamics::metadyn_forces (force_env, vel)
	add forces to the subsys due to the metadynamics run possibly modifies the velocites (if reflective walls are applied)
subroutine, public	metadynamics::metadyn_velocities_colvar (force_env, rand)
	Evolves velocities COLVAR according to Vanden-Eijnden Ciccotti C.Phys.Letter 429 (2006) 310-316.
subroutine, public	metadynamics::metadyn_write_colvar (force_env)
	Write down COLVAR information evolved according to Vanden-Eijnden Ciccotti C.Phys.Letter 429 (2006) 310-316.