manybody_eam Module Reference

Functions/Subroutines
subroutine, public	density_nonbond (fist_nonbond_env, particle_set, cell, para_env)
	...
subroutine, public	get_force_eam (rab2, eam_a, eam_b, eam_data, atom_a, atom_b, f_eam)
	...

Detailed Description

History

EAM potential

Author

CJM, I-Feng W. Kuo, Teodoro Laino

Function/Subroutine Documentation

density_nonbond()

subroutine, public manybody_eam::density_nonbond	(	type(fist_nonbond_env_type), pointer	fist_nonbond_env,
		type(particle_type), dimension(:), intent(inout)	particle_set,
		type(cell_type), pointer	cell,
		type(mp_para_env_type), pointer	para_env
	)

...

Parameters

fist_nonbond_env	...
particle_set	...
cell	...
para_env	...

Author

CJM

Definition at line 49 of file manybody_eam.F.

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get_force_eam()

subroutine, public manybody_eam::get_force_eam	(	real(dp), intent(in)	rab2,
		type(eam_pot_type), pointer	eam_a,
		type(eam_pot_type), pointer	eam_b,
		type(eam_type), dimension(:), intent(in)	eam_data,
		integer, intent(in)	atom_a,
		integer, intent(in)	atom_b,
		real(dp), intent(out)	f_eam
	)

...

Parameters

rab2	...
eam_a	...
eam_b	...
eam_data	...
atom_a	...
atom_b	...
f_eam	...

Author

CJM

Definition at line 220 of file manybody_eam.F.

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