fix nve command
-fix nve/cuda command
-fix nve/intel command
-fix nve/kk command
-fix nve/omp command
-Syntax
-fix ID group-ID nve
--
-
- ID, group-ID are documented in fix command -
- nve = style name of this fix command -
Examples
-fix 1 all nve
-Description
-Perform constant NVE integration to update position and velocity for -atoms in the group each timestep. V is volume; E is energy. This -creates a system trajectory consistent with the microcanonical -ensemble.
--
Styles with a cuda, gpu, intel, kk, omp, or opt suffix are -functionally the same as the corresponding style without the suffix. -They have been optimized to run faster, depending on your available -hardware, as discussed in Section_accelerate -of the manual. The accelerated styles take the same arguments and -should produce the same results, except for round-off and precision -issues.
-These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the Making LAMMPS section for more info.
-You can specify the accelerated styles explicitly in your input script -by including their suffix, or you can use the -suffix command-line switch when you invoke LAMMPS, or you can -use the suffix command in your input script.
-See Section_accelerate of the manual for -more instructions on how to use the accelerated styles effectively.
--
Restart, fix_modify, output, run start/stop, minimize info
-No information about this fix is written to binary restart files. None of the fix_modify options -are relevant to this fix. No global or per-atom quantities are stored -by this fix for access by various output commands. No parameter of this fix can -be used with the start/stop keywords of the run command. -This fix is not invoked during energy minimization.
-Restrictions
---none