atoms_input Module Reference

Functions/Subroutines
subroutine, public	read_atoms_input (topology, overwrite, subsys_section, save_mem)
	...
subroutine, public	read_shell_coord_input (particle_set, shell_particle_set, cell, subsys_section, core_particle_set, save_mem)
	...

Detailed Description

History

cjm, Feb-20-2001 : added all the extended variables to system_type gt 23-09-2002 : major changes. Pointer part is allocated/deallocated and initialized here. Atomic coordinates can now be read also from &COORD section in the input file. If &COORD is not found, .dat file is read. If & coord is found and .NOT. 'INIT', parsing of the .dat is performed to get the proper coords/vel/eta variables CJM 31-7-03 : Major rewrite. No more atype

Function/Subroutine Documentation

read_atoms_input()

subroutine, public atoms_input::read_atoms_input	(	type(topology_parameters_type)	topology,
		logical, intent(in), optional	overwrite,
		type(section_vals_type), pointer	subsys_section,
		logical, intent(in), optional	save_mem
	)

...

Parameters

topology	...
overwrite	...
subsys_section	...
save_mem	...

Author

CJM

Definition at line 69 of file atoms_input.F.

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read_shell_coord_input()

subroutine, public atoms_input::read_shell_coord_input	(	type(particle_type), dimension(:), pointer	particle_set,
		type(particle_type), dimension(:), pointer	shell_particle_set,
		type(cell_type), pointer	cell,
		type(section_vals_type), pointer	subsys_section,
		type(particle_type), dimension(:), optional, pointer	core_particle_set,
		logical, intent(in), optional	save_mem
	)

...

Parameters

particle_set	...
shell_particle_set	...
cell	...
subsys_section	...
core_particle_set	...
save_mem	...

Author

MI

Definition at line 265 of file atoms_input.F.

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