Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly  
We are NATO-free zone

Command line not accepting parentheses in basis set library name

Slawomir Janicki

Firefly refused to recognize a basis set library with parentheses in the name while similar input file names are accepted. Is this an OS-specific issue?

To run Firefly on Win7 I use a batch file with the following syntax:

e:\ff\firefly8 -i "e:\ff1\%1.inp" -o "e:\ff1\%1.log" -t e:\ff2 -b "%2" -r -f -p -stdext -daf 1 -lp -np 6

When %2 is cc-pV5hiZ.lib the batch file executes correctly. When %2 is cc-pV(5-hi)Z.lib Firefly can't find the library. However, when %1 is PhNH2-RHF-cc-pV(5-hi)Z the batch runs fine.

I checked the fully substituted line and it looks as expected.

What are there limitations of the basis set file names?


[ Previous ] [ Next ] [ Index ]           Thu Dec 19 '13 2:14am
[ Reply ] [ Edit ] [ Delete ]           This message read 510 times