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***************************************
***       PYTHON3 PACKAGE FOR       ***
*** QUANTUM MECHANICS RELATED STUFF ***
****************************************

All the scripts have a __main__ for unit testing or explanations that can be
used as an example of use.

Numerical methods for 1D Schrodinger equation (with \hbar=1 and m=1):

richardson_extr.py    Richardson extrapolation of solvers
sch_solver_dense.py   solvers using dense matrices (Finite Difference Methods, FFT)
sch_solver_shoot.py   solvers using shooting (3 point FDM, Numerov)

Other:

spectral_terms.py   Compute the spectral terms for equivalent electrons in one or 
                    two shells
thomas_fermi.py     Solution of the Thomas-Fermi equation

Examples for nontrivial physical systems:

test_anharmonic.py
test_double_well.py

*********************************

If the folder "qm_code" is saved in the working area one can use the
following lines to add it to the pythonpath:

import sys
import os

try:
  with open("qm_solver/schrodinger_solver_dense.py") as f: 
    pass
except:
  print("Get the package 'qm_code' from")
  print("https://github.com/claudio-bonati/qm_code")
  print("and put it in this directory.")
  print()
  print("If you have 'git' installed you can use")
  print("git clone https://github.com/claudio-bonati/qm_code")
  print()
  sys.exit(1)

sys.path.append(os.getcwd()+"/qm_code")

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Python3 package with quantum mechanics related code

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