I see that the fix is already merged, thanks for the quick fix!
Unfortunately, I now have a different problem: When I try to run
my MWE I get the following error message:
Traceback (most recent call last):
It seems like a minor error, which should be easy to fix. But I
always get lost trying to find the cause in the code.
File "/home/jochum/phd/subt_lj_test.py", line 23, in
subtLJbond = espressomd.interactions.Subt_Lj(k = 1.,
r = 100.)
File "espressomd/interactions.pyx", line 1405, in
File "espressomd/interactions.pyx", line 705, in
File "espressomd/interactions.pyx", line 741, in
TypeError: cannot concatenate 'str' and 'method-wrapper'
On 24.10.2017 17:18, Florian Weik
which is currently under review and will be merged soon.
On Tue, Oct 24, 2017 at 12:12 PM Clemens Jochum
I'm trying to use the subtracted LJ bond  and it is not
correctly when I'm using LJ with offset. I'm using the current
development version of espresso.
I attached a MWE of my system without thermostat, where the
is such that with subtracted LJ bond between all particles
be no forces present. Without offset and the subtracted LJ
forces are 0 as expected. But with offset and subtracted LJ
forces are NAN or if I don't update the forces and try to
bond is immediately broken.
I think either the subtracted LJ-bond ignores the offset and
the wrong (very large) value orthe subtracted LJ-bond does not
at all below the offset and just reads in some NAN value.
Is there a way to fix this?