RMPCDMD

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Functions/Subroutines  
program  single_sphere_thermo_trap 
Simulate a thermal gradient with an embedded colloidal sphere. More...  
double precision function  compute_force_harmonic_trap (p, k, x0) 
subroutine  rescale_at_walls 
subroutine  compute_vxz_and_vxyz 
subroutine  div_vxz () 
subroutine  div_vxyz () 
double precision function single_sphere_thermo_trap::compute_force_harmonic_trap  (  type(particle_system_t), intent(inout)  p, 
double precision, intent(in)  k,  
double precision, dimension(3), intent(in)  x0  
) 
Definition at line 404 of file single_sphere_thermo_trap.f90.
subroutine single_sphere_thermo_trap::compute_vxz_and_vxyz  (  ) 
Definition at line 465 of file single_sphere_thermo_trap.f90.
subroutine single_sphere_thermo_trap::div_vxyz  (  ) 
Definition at line 498 of file single_sphere_thermo_trap.f90.
subroutine single_sphere_thermo_trap::div_vxz  (  ) 
Definition at line 485 of file single_sphere_thermo_trap.f90.
subroutine single_sphere_thermo_trap::rescale_at_walls  (  ) 
Definition at line 419 of file single_sphere_thermo_trap.f90.
program single_sphere_thermo_trap  (  ) 
Simulate a thermal gradient with an embedded colloidal sphere.
Consider a pure fluid under a thermal gradient in the zdirection. The confining plates are modeled as bounceback boundary conditions in the zdirection in addition to ghost cells for the collisions near the walls.
The xz components of the fluid velocity field is stored at fixed intervals in the centery layer of cells.
The sphere can be either fixed or held by an harmonic trap.
L  length of simulation box in the 3 dimensions 
rho  fluid number density 
T  Temperature. Used for setting initial velocities. 
wall_T  Temperature at the walls (two values). 
k  trap stiffness 
tau  MPCD collision time 
alpha  MPCD collision angle 
N_therm  number of unsampled thermalization MPCD timesteps 
N_loop  number of MPCD timesteps 
N_MD  number of MD timesteps per tau 
vxz_interval  interval for storing the xz velocity field 
sigma  size of spherical colloid 
epsilon  interaction parameter of sphere with fluid 
move  enable motion of the sphere (boolean) 
Definition at line 31 of file single_sphere_thermo_trap.f90.