particle_types.F File Reference

#include "../base/base_uses.f90"

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Data Types
type	particle_types::particle_type

Modules
module	particle_types
	Define the data structure for the particle information.

Functions/Subroutines
subroutine, public	particle_types::allocate_particle_set (particle_set, nparticle)
	Allocate a particle set.
subroutine, public	particle_types::deallocate_particle_set (particle_set)
	Deallocate a particle set.
subroutine, public	particle_types::update_particle_set (particle_set, int_group, pos, vel, for, add)
	...
pure real(kind=dp) function, dimension(3), public	particle_types::get_particle_pos_or_vel (iatom, particle_set, vector)
	Return the atomic position or velocity of atom iatom in x from a packed vector even if core-shell particles are present.
pure subroutine, public	particle_types::update_particle_pos_or_vel (iatom, particle_set, x, vector)
	Update the atomic position or velocity by x and return the updated atomic position or velocity in x even if core-shell particles are present.