SlowQuant

SlowQuant is a molecular quantum chemistry program written in python. Even the computational demanding parts are written in python, so it lacks speed, thus the name SlowQuant. The program is run as:

python SlowQuant.py MOLECULE SETTINGS

As a ready to run example:

python SlowQuant.py H2O.csv settingExample.csv

SlowQuant have the following requirements:

  • Python 3.5 or above
  • numpy 1.13.1
  • scipy 0.19.1
  • numba 0.34.0
  • cython 0.25.2
  • gcc 5.4.0