Extension of the Front-End CI Testing-Suite
The CI test suite of the integration tests should be extended:
-
The output analyzer should be tested for the following runtime choices (16 tests in total):
- Single-point calculation, relaxation
- Spin none, collinear
- Band structure+DOS
- Periodic, non-periodic
- Exciting, FHI-aims
The main inner output objects filled with data from the output file parsing (e.g.
scfLoops
) must be tested to check that the parser is working right. -
Testing of the different file formats generated for exporting in the Structure Builder
Edited by Iker Hurtado