Wave-function analysis tool library
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README.md

libwfa

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