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general_hints_-_frequently_asked_questions [2024/02/23 14:35] – [MCSCF calculations] dollgeneral_hints_-_frequently_asked_questions [2025/02/12 12:12] (current) – molpro: command not found FAQ doll
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   * MCSCF and MRCI are not black-box like, and e.g. a visualisation of the MCSCF orbitals will help to set up the active space.   * MCSCF and MRCI are not black-box like, and e.g. a visualisation of the MCSCF orbitals will help to set up the active space.
  
 +==== molpro: No such file or directory ====
 +
 +After installation, you will usually not be able to call molpro by just typing ''molpro'', and you will get
 +error messages such as e.g. ''No such file or directory'' or ''command not found''.
 +You have to bring ''molpro'' into the path. There are various ways such as setting a symbolic link e.g.
 +from ''$HOME/bin/molpro'' to the installed ''molpro'' or explicity including it in the path.
 +Please use a search engine or a book for such questions about Linux.
 + 
 ==== Hardware ==== ==== Hardware ====