Loading examples/USER/pinning/readme.md 0 → 100644 +18 −0 Original line number Diff line number Diff line This bias potential is used to study solid-liquid transitions with the interface pinning method. Reference: [Ulf R. Pedersen, J. Chem. Phys. 139, 104102 (2013)] Usage snip: fix [fix-name] [groupID] rhoKUmbrella [nx] [ny] [nz] [kappa] [anchor-point] thermo_style custom step temp pzz pe lz f_umbrella f_umbrella[1] f_umbrella[2] f_umbrella[3] where the parameters set the harmonic bias potential U=0.5*kappa*(|rho_k|-anchor-point)^2 with the wave-vector elements of rho_k to k_x = (2 pi / L_x) * n_x, k_y = (2 pi / L_y) * n_y and k_z = (2 pi / L_z) * n_z. This package was created by Ulf R. Pedersen http://www.urp.dk ulf AT urp.dk Loading
examples/USER/pinning/readme.md 0 → 100644 +18 −0 Original line number Diff line number Diff line This bias potential is used to study solid-liquid transitions with the interface pinning method. Reference: [Ulf R. Pedersen, J. Chem. Phys. 139, 104102 (2013)] Usage snip: fix [fix-name] [groupID] rhoKUmbrella [nx] [ny] [nz] [kappa] [anchor-point] thermo_style custom step temp pzz pe lz f_umbrella f_umbrella[1] f_umbrella[2] f_umbrella[3] where the parameters set the harmonic bias potential U=0.5*kappa*(|rho_k|-anchor-point)^2 with the wave-vector elements of rho_k to k_x = (2 pi / L_x) * n_x, k_y = (2 pi / L_y) * n_y and k_z = (2 pi / L_z) * n_z. This package was created by Ulf R. Pedersen http://www.urp.dk ulf AT urp.dk
