Timer
Time energy and gradient evaluations.
Usage: ffxc Timer [-ghv] [--nt=0] [-n=5] files...
Time energy evaluations.
files... XYZ or PDB input files.
--nt, --threads=0 Number of SMP threads (0 specifies use of all CPU cores).
-g, --noGradient Ignore computation of the atomic coordinates noGradient.
-h, --help Print this help message.
-n, --iterations=5 Number of iterations.
-v, --verbose Print the energy for each iteration.