SELM_InteractionTypeStr = LAMMPS_BONDS Interaction type was not recognized

atzberg / mango-selm

Simulation methods for particle systems, materials, and complex fluids with fluctuating hydrodynamics approaches (stochastic immersed boundary methods, stochastic eulerian-lagrangian methods) [interfaces with LAMMPS MD package]

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What version of the product are you using? On what operating system?
current version of SELM on linux

Please provide any additional information below.
test run SELM code, run time error at:
SELM_Interaction_Delegator_XML_Handler::XML_endElement(string qName,
Atz_XML_SAX_DataHandler* sourceHandler)

output:
Scanning data file ...
 1 = max bonds/atom
 0 = max angles/atom
Reading data file ...
 triclinic box = (-202.5 -202.5 -202.5) to (202.5 202.5 202.5) with
tilt (0 0 0)
 1 by 1 by 1 processor grid
 2 atoms
 1 bonds
 0 angles
Finding 1-2 1-3 1-4 neighbors ...
 1 = max # of 1-2 neighbors
 0 = max # of 1-3 neighbors
 0 = max # of 1-4 neighbors
 1 = max # of special neighbors
ERROR: SELM_Interaction_Delegator.cpp : XML_endElement()
Interaction type was not recognized
SELM_InteractionTypeStr = LAMMPS_BONDS

Original issue reported on code.google.com by lalal...@gmail.com on 3 Feb 2012 at 6:30

This will be fixed shortly by adding warning message and skipping parsing of this data for now, unless needed. In fact, generic class mapping XML to hash-table might be used to handle unknown interaction types in the future (so data is available, even if not fully handled yet). Interactions are a little special in that for the most part LAMMPS just handles this. These data types are used to help inform SELM codes of what is going on, in case it is useful for some related procedure.

atzberg / mango-selm

SELM_InteractionTypeStr = LAMMPS_BONDS Interaction type was not recognized #4