Time energy evaluations.
Timer(1) Manual Page
Name
Timer - Time energy evaluations.
Synopsis
Timer [-ghvV] [-n=5] [--nt=0] file
Description
Options
- -h, --help
-
Print command help and exit.
- -V, --version
-
Print the Force Field X version and exit.
Timing Options
- -g, --noGradient
-
Ignore computation of the atomic coordinates gradient.
- -n, --iterations=5
-
Number of iterations.
- --nt, --threads=0
-
Number of SMP threads (0 specifies use of all CPU cores).
- -v, --verbose
-
Print the energy for each iteration.
Arguments
- file
-
The atomic coordinate file in PDB or XYZ format.