RMPCDMD
Modules | Functions/Subroutines
mpcd.f90 File Reference

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Modules

module  mpcd
 Routines to perform MPCD dynamics.
 

Functions/Subroutines

double precision function, dimension(3), public mpcd::rand_sphere (state)
 Return random point on the surface of a sphere. More...
 
subroutine, public mpcd::simple_mpcd_step (particles, cells, state, alpha, thermostat, T, hydro)
 Perform a collision. More...
 
subroutine, public mpcd::wall_mpcd_step (particles, cells, state, wall_temperature, wall_v, wall_n, thermostat, bulk_temperature, alpha, keep_cell_v)
 Collisions in partially filled cells at the walls use the rule of Lamura et al (2001) [2]. More...
 
double precision function, public mpcd::compute_temperature (particles, cells, tz)
 Compute the temperature of a mpcd solvent. More...
 
subroutine, public mpcd::compute_rho (particles, rhoz)
 Compute density profile along z. More...
 
subroutine, public mpcd::compute_vx (particles, vx)
 Compute x-velocity profile along z. More...
 
subroutine, public mpcd::mpcd_stream_periodic (particles, cells, dt)
 Stream MPCD particles in a periodic system. More...
 
subroutine, public mpcd::mpcd_stream_xforce_yzwall (particles, cells, dt, g)
 Stream MPCD particles with a force in the x-direction and specular or bounce-back conditions in y. More...
 
subroutine mpcd::yzwall_collision (x0, v0, x, v, im, L, t, bc, g)
 Collide a particle in y and z with constant acceleration in x. More...
 
pure integer function mpcd::change_23 (i)
 Return 2 for 3 and 3 for 2. More...
 
subroutine, public mpcd::bulk_reaction (p, c, from, to, rate, tau, state)
 Apply a bulk unimolecular RMPCD reaction. More...
 
subroutine, public mpcd::bulk_reaction_endothermic (p, c, from, to, rate, tau, state, delta_u)
 Apply a endothermic bulk unimolecular RMPCD reaction. More...
 
subroutine, public mpcd::mpcd_stream_nogravity_zwall (particles, cells, dt)
 
subroutine, public mpcd::rescale_cells (particles, cells, state, T)
 Rescale the kinetic energy of all cells. More...