RMPCDMD
Data Types | Modules | Functions/Subroutines
md.f90 File Reference

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Data Types

type  md::rigid_body_t
 Container for rigid body colloid. More...
 

Modules

module  md
 Routines to perform Molecular Dynamics integration.
 

Functions/Subroutines

subroutine, public md::md_pos (particles, dt)
 
subroutine, public md::cell_md_pos (cells, particles, dt, md_flag)
 
subroutine, public md::cell_md_pos_ywall (cells, particles, dt, md_flag)
 
subroutine, public md::cell_md_pos_zwall (cells, particles, dt, md_flag)
 
subroutine, public md::apply_pbc (particles, edges)
 
subroutine, public md::md_vel (particles, dt)
 
subroutine, public md::cell_md_vel (cells, particles, dt, md_flag)
 
subroutine, public md::rattle_dimer_pos (p, d, dt, edges)
 
subroutine, public md::rattle_dimer_vel (p, d, dt, edges)
 
subroutine, public md::rattle_body_pos (p, links, distances, dt, edges, precision)
 
subroutine, public md::rattle_body_vel (p, links, distances, dt, edges, precision)
 
double precision function, public md::lj93_zwall (particles, edges, lj_params)
 
double precision function, public md::elastic_network (p, links, distances, k, edges)
 
subroutine md::rigid_body_init (this, ps, i_start, i_stop, edges)
 
subroutine md::rigid_body_compute_force_torque (this, ps)
 
subroutine md::rigid_body_vv1 (this, ps, dt, treshold, edges)
 Perform first velocity-Verlet step for quaternion dynamics. More...
 
subroutine md::rigid_body_vv2 (this, ps, dt)
 Perform second velocity-Verlet step for quaternion dynamics. More...