Module Hydrodynamics.
Only contain function, state independent.
More...
Public Member Functions | |
subroutine | scale_diffusion_coefficients (tab_protein, geom, cutoff_phi) |
Wrapper function. | |
subroutine | scale_diffusion_coefficients_sdamm (tab_protein, geom, cutoff_phi) |
subroutine | scale_diffusion_coefficients_sda2prot (tab_protein, geom, cutoff_phi) |
subroutine | local_volume_fraction (prot2, dist2, cutoff_phi, vol_occ) |
compute volume fraction More... | |
subroutine | local_trans_diff_scaling (dm_init, vol_occ, dm_scaled) |
Scale the translation diffusion coefficient according to. | |
subroutine | local_rot_diff_scaling (dr_init, vol_occ, dr_scaled) |
Scale the rotational diffusion coefficient according to. | |
Module Hydrodynamics.
Only contain function, state independent.
subroutine mod_hydrodynamics::local_volume_fraction | ( | type ( protein ) | prot2, |
real ( kind=8 ) | dist2, | ||
real ( kind=8 ) | cutoff_phi, | ||
real ( kind=8 ) | vol_occ | ||
) |
compute volume fraction
prot2 | : second solute |
dist2 | : distance square |
cutoff_phi | : cutoff distance |
vol_occ | : return fraction of occupied volume |