diff --git a/lammps/main.c b/lammps/main.c index 713c86e..ec43857 100644 --- a/lammps/main.c +++ b/lammps/main.c @@ -152,7 +152,7 @@ int main(int argc, char** argv) { initParameter(¶m); for(int i = 0; i < argc; i++) { - if((strcmp(argv[i], "-p") == 0)) { + if((strcmp(argv[i], "-p") == 0) || strcmp(argv[i], "--params") == 0) { readParameter(¶m, argv[++i]); continue; } @@ -210,16 +210,17 @@ int main(int argc, char** argv) { if((strcmp(argv[i], "-h") == 0) || (strcmp(argv[i], "--help") == 0)) { printf("MD Bench: A minimalistic re-implementation of miniMD\n"); printf(HLINE); - printf("-p : file to read parameters from (can be specified more than once)\n"); - printf("-f : force field (lj, eam or dem), default lj\n"); - printf("-i : input file with atom positions (dump)\n"); - printf("-e : input file for EAM\n"); - printf("-n / --nsteps : set number of timesteps for simulation\n"); - printf("-nx/-ny/-nz : set linear dimension of systembox in x/y/z direction\n"); - printf("-r / --radius : set cutoff radius\n"); - printf("-s / --skin : set skin (verlet buffer)\n"); - printf("--freq : processor frequency (GHz)\n"); - printf("--vtk : VTK file for visualization\n"); + printf("-p / --params : file to read parameters from (can be specified more than once)\n"); + printf("-f : force field (lj, eam or dem), default lj\n"); + printf("-i : input file with atom positions (dump)\n"); + printf("-e : input file for EAM\n"); + printf("-n / --nsteps : set number of timesteps for simulation\n"); + printf("-nx/-ny/-nz : set linear dimension of systembox in x/y/z direction\n"); + printf("-half : use half (1) or full (0) neighbor lists\n"); + printf("-r / --radius : set cutoff radius\n"); + printf("-s / --skin : set skin (verlet buffer)\n"); + printf("--freq : processor frequency (GHz)\n"); + printf("--vtk : VTK file for visualization\n"); printf(HLINE); exit(EXIT_SUCCESS); }