realspace.Minimize(1)
Synopsis
realspace.Minimize [-hV] [--aa=<selection>] [-e=1.0] [-I=Unlimited] [--ia=<selection>] [--nbfgs=7] [--wA=1.0] [-X=<data> <data>]… files…
Options
- -h, --help
- Print command help and exit.
- -V, --version
- Print the Force Field X version and exit.
- --wA, --dataWeight=1.0
- The weight of the experimental data (wA).
- -X, --data=<data> <data>
- Specify input data filename and its weight (wA) (e.g. -X filename 1.0).
Minimization Options
- -e, --eps=1.0
- Convergence criteria.
- -I, --iterations=Unlimited
- Number of minimization steps.
- --nbfgs=7
- The number of correction vectors used by the L-BFGS optimization routine (0 for steepest-decent).