[ESPResSo-users] Tabulated interaction: "object is not callable"

[Clemens Jochum]

Hi all,

I ran into some issues when using exclusions and electrostatics in ESPResSO at the same time. I already described them in a previous thread [1], but it seems like these issues are not solvable at the moment.

To circumvent my problem, I tried to replace the missing short-range electrostatic potential with a tabulated interaction, but I'm running into some more problems. I amusing the development python version and compiled espresso with the "TABULATED" feature. When I try to create the interaction as described in the documentation [2], I get the following error:

espressoSystem.non_bonded_inter[0, 0].tabulated(filename = 'tabulated_coulomb_int.dat')
TypeError: 'espressomd.interactions.TabulatedNonBonded' object is not callable

Does anyone have an idea where this problem comes from and how to solve it?

An unrelated problem I have is when using the analysis module. I always get the error message:

File "espressomd/analyze.pyx", line 758, in espressomd.analyze.Analysis.distribution (~/build/pypresso/src/python/espressomd/analyze.cpp:10174) NameError: name 'c_analyze' is not defined

I think this has something to do with my library path, but I can't get it to work.

Best,
Clemens

P.S. It would be really great if the bug with excluded short-range electrostatic interaction would be fixed. :)
 
[1] http://espressomd.org/html/doc/inter.html#tabulated-interaction
[2] https://lists.nongnu.org/archive/html/espressomd-users/2017-07/msg00001.html