3.3.2. Environment and EMIL Commands

The following are basic and most common commands for the Molcas environment variables and input language (EMIL):


Molcas home directory.


Memory definition in Mb. Default 1024.


Printing level: 2 Normal, 3 Verbose


Name used for the project/files.


Scratch directory for intermediate files.

>> Do While

Start of a loop in an input file for geometry optimization with conditional termination.

>> Foreach

Start of a loop in an input file over a number of items.

>> EndDo

End of a loop in an input file.

>> If ( condition )

Start of If block.

>> EndIf

End of If block.

>> Label Mark

Setting the label “Mark” in the input.

>> Goto Mark

Forward jump to the label “Mark” skipping that part of the input.