Wave-function analysis tool library for quantum chemical applications
Code and ideas by F. Plasser, M. Wormit, S. A. Bäppler, B. Thomitzni, and A. Dreuw
Please contact one of the authors if you are interested in interfacing libwfa to your quantum chemistry code. See LICENSE for licensing information.
To compile the standalone version, type:
./configure cd build make
Currently, testing is only possible via the libtest library, which is part of Q-Chem. Compile libtest, then type:
cd libwfa/tests ../build/tests/libwfa_tests