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