(git:b279b6b)
manybody_gal21.F File Reference

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Modules

module  manybody_gal21
 Implementation of the GAL21 potential.
 

Functions/Subroutines

subroutine, public manybody_gal21::gal21_energy (pot_loc, gal21, r_last_update_pbc, iparticle, jparticle, cell, particle_set, mm_section)
 Main part of the energy evaluation of GAL2119. More...
 
subroutine, public manybody_gal21::gal21_forces (gal21, r_last_update_pbc, iparticle, jparticle, f_nonbond, pv_nonbond, use_virial, cell, particle_set)
 forces generated by the GAL2119 potential More...
 
subroutine, public manybody_gal21::setup_gal21_arrays (nonbonded, potparm, glob_loc_list, glob_cell_v, glob_loc_list_a, cell)
 ... More...
 
subroutine, public manybody_gal21::destroy_gal21_arrays (glob_loc_list, glob_cell_v, glob_loc_list_a)
 ... More...
 
subroutine, public manybody_gal21::print_nr_ions_gal21 (nr_ions, mm_section, para_env, print_oh, print_h3o, print_o)
 prints the number of OH- ions or H3O+ ions near surface More...