SMITH3 generates efficient code for CASPT2 nuclear gradient (and beyond)
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prep
python
src
AUTHORS
COPYING
ChangeLog
INSTALL
Makefile.am
NEWS
README
TODO
configure.ac

README

* To configure please do the following:

> aclocal
> autoconf
> autoheader
> automake -a
>
> mkdir obj
> cd obj
> ../configure CXXFLAGS=-std=c++11
>
> make -j

* If you want to test subsets of equations,
please modify src/prep/generate_main.cc and do

> obj/prep/Prep > src/main.cc

* The python directory includes python scripts that split
files into smaller files (used in BAGEL)

* The development of this program has been supported
  by DOE Basic Energy Sciences (DE-FG02-13ER16398)