Absorption spectrum with Gaussian lineshape

[baumeier]

Implements #2

[codecov[bot]]

Codecov Report

Merging #9 (9fe9ccc) into master (f4fa2b0) will decrease coverage by 1.67%. The diff coverage is 11.11%.

@@            Coverage Diff             @@
##           master       #9      +/-   ##
==========================================
- Coverage   25.94%   24.26%   -1.68%     
==========================================
  Files           6        6              
  Lines         212      239      +27     
  Branches       27       31       +4     
==========================================
+ Hits           55       58       +3     
- Misses        157      181      +24     

Impacted Files	Coverage Δ
PyVOTCA/wrapper.py	15.05% <0.00%> (-0.68%)	:arrow_down:
PyVOTCA/visualization.py	21.62% <13.04%> (-14.10%)	:arrow_down:

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[felipeZ]

@baumeier instead of having hard-coded constant like 27.211, we can use the predefined constant in scipy like:

from scipy.constants import physical_constants 
 h2ev = physical_constants['Hartree energy in eV'][0]

[baumeier]

@felipeZ can you have another look?

[felipeZ]

@baumeier also scipy should be added to the dependencies in the setup.py file

[baumeier]

@baumeier also scipy should be added to the dependencies in the setup.py file

Done.

[felipeZ]

@baumeier I think that we are good to go!