Takes an geometry input to calculate the counterpoise correction. Periodic calculations are performed automatically for periodic input formats Specify the level of your calculation to select the correct parameters.
- -i, --input format
-
Hint for the format of the input file
- -l, --level method
-
specify method to correct for, if not present or set to file, local parameters are used, local parameters are read from
~/.gcppar.$HOSTNAME - --grad
-
request gradient evaluation
- --hess
-
request hessian evaluation
- --noprint
-
Reduce printout, only print warnings
- --parfile
-
write
gcp.paramfile - --version
-
Print program version and exit
- --help
-
Show this help message