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ab_initio_multiple_spawning_dynamics [2025/04/14 07:05] – replace \ldots with ... , text should be as in Molpro2015 manual dollab_initio_multiple_spawning_dynamics [2025/04/14 07:06] (current) – replace \ldots with ... , text should be as in Molpro2015 manual doll
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 ''%%natom   nmodes%%''\\ ''%%natom   nmodes%%''\\
-''%%freq(1) freq(2) \ldots freq(nmodes)%%''\\ +''%%freq(1) freq(2) ... freq(nmodes)%%''\\ 
-''%%modevec(1,1) modevec(2,1) \ldots modevec(3*natom,nmodes)%%''+''%%modevec(1,1) modevec(2,1) ... modevec(3*natom,nmodes)%%''
  
 Note: Frequencies must be in cm$^{-1}$, but normal mode vectors can be mass scaled or not- AIMS will detect. Also, it is permissible to have carriage returns in the list of frequencies and mode vectors. This file is generated by AIMS if either FrequenciesMP.dat or Hessian.dat is used initially. Note: Frequencies must be in cm$^{-1}$, but normal mode vectors can be mass scaled or not- AIMS will detect. Also, it is permissible to have carriage returns in the list of frequencies and mode vectors. This file is generated by AIMS if either FrequenciesMP.dat or Hessian.dat is used initially.