Input
Since version MSMC-2015.08, comments can be added anywhere in the input file. The rules for comments are:
The sign “!!” is used to comment out the text following this sign.
Ex: !! This is a comment line
The signs “!*” and “*!” are used to comment out a block comment between the signs
Ex:
!*
This is the first comment line
This is the second comment line
*!
The default extension of the input is .minp. Ex: C2H2+OH.minp
Structure and keywords
Please click here to download the instruction for input preparation (last update: 2016.08.29)