Новосибирский институт органической химии им. Н.Н. Ворожцова СО РАН

Лаборатория изучения механизмов органических реакций

hess

Usage: hess hess_file > gamess.dat


hess hess_file >> gamess.inp
  
  Transform hessian from PRIRODA/GAMESS output to $HESS group for GAMESS
  
  hess_file may be (auto detected):
  - PRIRODA output after task=hessian
  - GAMESS output after runtyp=hessian
  - GAMESS punch with $HESS group
  

  
Последняя модификация: Fri Sep 13 16:48:04 2013

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