follow.py#

usage: follow.py [-h] [-m mode 1 [mode 2 ...]] [-r] [-a frames] [-rt]
                 [-s max displacement] [-o OUTFILE [OUTFILE ...]]
                 input file

move the structure along a normal mode

positional arguments:
  input file            input frequency file (i.e. Gaussian output where "freq" was specified)

optional arguments:
  -h, --help            show this help message and exit
  -m mode 1 [mode 2 ...], --mode mode 1 [mode 2 ...]
                        comma-separated list of modes to follow (1-indexed)
  -r, --reverse         follow the normal mode in the opposite direction
  -a frames, --animate frames
                        print specified number of structures to make an animation
  -rt, --roundtrip      make animation roundtrip
  -s max displacement, --scale max displacement
                        scale the normal mode so that this is the maximum amount an
                        atom is displaced
  -o OUTFILE [OUTFILE ...], --output-destination OUTFILE [OUTFILE ...]
                        output destination
                        $i in file name will be replaced with zero-padded numbers if --animate is used
                        $INFILE will be replaced with the name of the input file
                        Default: stdout