If you want to download SHARC, please note that SHARC is only compatible with Linux systems. Windows and OS X are currently not supported.
You will need to have a Fortran 90 compiler, the libraries BLAS, LAPACK and FFTW3 and Python 2 installed on your system.
Quantum Chemistry Programs
The SHARC suite comes with an interface allowing to perform dynamics on analytical potentials. In order to carry out ab-initio (CASSCF) on-the-fly dynamics, you also need one of the following quantum chemistry programs:
- MOLPRO⇗ (version 2010, 2012, or 2015)
- OPENMOLCAS⇗ (version 18, optionally with TINKER⇗)
- COLUMBUS⇗ (version 7, optionally with working COLUMBUS-MOLCAS-interface⇗)
- ADF⇗ (version 2017 or newer)
- TURBOMOLE⇗ (version 6.6 or 7.0, optionally with ORCA⇗ 3 or 4 for SOCs)
- GAUSSIAN⇗ (version 09 or 16)
For full functionality of the SHARC suite, several additional programs are recommended: