Add test for RHODYN
Here is the test for RHODYN
with general update of the code.
In worst case if compiled with options Debug, BOUNDS and internal linalg, it takes 10 min to pass.
For the Release build type with MKL library, the runtime is 80s.
I am not sure if it can be reduced further, SCF and RASSI are bottlenecks for the system.
Are these times acceptable for testing?
Also contains new code for the basis of spherical tensors, which was done alongside with testing. However, this part is not yet completely ready, and thus not documented.
Minor changes in RASSI
:
-
remove gotos in a few routines
-
routines for angular momenta are modernized to
*.F90
code. I use similar routines in RHODYN, perhaps in the future one can put them to some common utils to not duplicate the code (I also noticed the similar ones inSINGLE_ANISO
) -
Documentation updated or not needed. -
Test created or not needed. -
Attribution in source files and CONTRIBUTORS.md
updated if necessary.