PHATPSY - Projected Hamiltonian Approach to Polyatomic Systems
- To get a copy:
git clone https://github.com/JackS9/phatpsy.git
- To compile:
gfortran -c *.f
- To build:
gfortran *.o -o phatpsy
- To test:
./phatpsy <n2.stdin >n2.stdout
- To use MKL Libraries and Makefile first time
module load mkl # once only
make
make test
- To use MKL Libraries and Makefile subsequent times
make clean # optional
make
make test