claudio-bonati/qm_code
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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
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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")