If you specify a primary thermochemistry library like:
PrimaryThermoLibrary:
Name: DFT_QCI // some comment goes here
Then the spaces, slashes, and comment are all assumed to be part of the library name. This doesn't really cause major problems, but is probably not what the user expects. I'm not sure what else this is true of.
If you specify a primary thermochemistry library like:
Then the spaces, slashes, and comment are all assumed to be part of the library name. This doesn't really cause major problems, but is probably not what the user expects. I'm not sure what else this is true of.