Лаборатория изучения механизмов органических реакций

gmsv

Usage: gmsv [-n=num] file.dat

Print $VEC group(s) (GAMESS) to stdout.

See xyz -h for format of -n option.
  -n=-1 (last vectors) as default
  -b is synonym of -n=1 (first vectors)
  
Example: gmsv ~/scr/file0.dat >> file1.inp
  
Also EIGENVECTORS (for start structure) or MOLECULAR ORBITALS (for finish one)
from out-file may be converted to $VEC group:
         gmsv file0.out >> file1.inp
And MCSCF NATURAL and OPTIMIZED ORBITALS
  -molden  also write file0.mos (molden format) (so far only from out-files)