Loading doc/src/fix_langevin.txt +7 −0 Original line number Diff line number Diff line Loading @@ -263,6 +263,13 @@ The 2GJ half-step velocity {vhalf} samples the correct velocity distribution for Results of simulations using the {gjf} option with both {vfull} and {vhalf} compared to other available thermostats are shown in the LAMMPS directory: examples/gjf. This updated implementation of the {gjf} thermostat includes the choice between outputting either the on-site {vfull} or half-step {vhalf} velocity. The on-site velocity has been updated to be the GJF on-site velocity, and the half-step velocity is the statistically correct 2GJ velocity. The implementation also takes advantage of Gaussian distributed random numbers in order to achieve correct fluctuations. :line Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are Loading Loading
doc/src/fix_langevin.txt +7 −0 Original line number Diff line number Diff line Loading @@ -263,6 +263,13 @@ The 2GJ half-step velocity {vhalf} samples the correct velocity distribution for Results of simulations using the {gjf} option with both {vfull} and {vhalf} compared to other available thermostats are shown in the LAMMPS directory: examples/gjf. This updated implementation of the {gjf} thermostat includes the choice between outputting either the on-site {vfull} or half-step {vhalf} velocity. The on-site velocity has been updated to be the GJF on-site velocity, and the half-step velocity is the statistically correct 2GJ velocity. The implementation also takes advantage of Gaussian distributed random numbers in order to achieve correct fluctuations. :line Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are Loading
