The standard examples should be tested - the following should run:
$ ./schroedinger.py --hydrogen
$ ./schroedinger.py --well
$ ./schroedinger.py --boron
$ ./schroedinger.py --oscillator
Outline:
- the test should create SchroedingerApp instances with custom problem
description:
- create both 2D and 3D meshes, e.g. using gen_block_mesh() from
sfepy.fem, so that the test does not depend on gmsh or tetgen
- import fun_v from each example in examples/quantum, import common from
common.py (see e.g. examples/quantum/oscillator.py) and make a custom
ProblemConf, that uses each example with the provided mesh
- create and call the SchroedingerApp instance, just like it is done in
schroedinger.py
- the solve_eigen_problem_1() method could be modified to return the
errors, so that those can be checked in the test.
- hydrogen and boron in 3D "may fail" for the moment
Original issue reported on code.google.com by robert.c...@gmail.com on 2 Jun 2010 at 4:38
Original issue reported on code.google.com by
robert.c...@gmail.com
on 2 Jun 2010 at 4:38