| 11:43:50 AM PST - Thu, Dec 19th 2013 |
|
Quote:Barborini Dec 19th 2:15 amGoing in the code, in the cisdtq directory in tce,
I found that there is a -DCCSDTQ flag called by a ifdef.
Where do I have to set the variable to set this flag to true??
I'm not sure that this is the solution.
Thank you again,
Matteo
Matteo
Please do the following to get the Q components of TCE compile
cd $NWCHEM_TOP/src/tce
make clean
make CCSDTQ=y
cd ..
make link
From
http://nwchemgit.github.io/index.php/TCE
"... The distributed binary executables do not contain CCSDTQ and its derivative methods, owing to their large volume. The source code includes them, so a user can reinstate them by setenv CCSDTQ yes and recompile TCE module..."
|