aestimosolver / aestimo

Aestimo 1D Schrödinger-Poisson Solver
https://aestimosolver.github.io
GNU General Public License v3.0
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WARNING psi_at_inf_cython module not found #31

Closed newton-per-sqm closed 1 year ago

newton-per-sqm commented 2 years ago

When using the actual version 2.0.1 "as is" with sample_pn.py as input file and meff_method = 0 (because aestimo.py is asking for this parameter), then the calculation stops because psi_at_inf_cython module could not be found. In the repository, only a "precompiled" psi_at_inf_cython.pyx file could be found. The same error occurs when probing any sample file with nonparabolic calculations.

Here my run informations:

python main.py

WARNING aestimo logs automatically to aestimo.log in the example's directory.
WARNING psi_at_inf_cython module not found
INFO inputfile is sample_pn
INFO Aestimo is starting...
INFO Total layer number: 2
INFO Total number of materials in database: 25
Traceback (most recent call last):
  File "~\Documents\Python Scripts\Aestimo\aestimo-2.0.1\main.py", line 48, in <module>
    aestimo.run_aestimo(inputfile)
  File "~\Documents\Python Scripts\Aestimo\aestimo-2.0.1\aestimo.py", line 1515, in run_aestimo
    result = Poisson_Schrodinger(model)
  File "~\Documents\Python Scripts\Aestimo\aestimo-2.0.1\aestimo.py", line 1132, in Poisson_Schrodinger
    E_state = calc_E_state(subnumber_e, fitot, model, energyx)
  File "~\Documents\Python Scripts\Aestimo\aestimo-2.0.1\aestimo.py", line 631, in calc_E_state
    psi_at_inf = psi_at_inf1_cython
NameError: name 'psi_at_inf1_cython' is not defined`

Could you help me?

sblisesivdin commented 2 years ago

If you have problems with cython, the best and the easiest way is not to use it. Because Aestimo is a 1D solver, most calculations can be done in a small amount of time. Therefore, open config.py and change line:

use_cython = True #provides a speed up for aestimo

as

use_cython = False #provides a speed up for aestimo