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