[ESPResSo-devel] one minor bug in polymer_tcl.c

[정환원]

Hello, ESPResSo developers.

When I simulated samples/pe_network.tcl, the equlibrium and crossnetwork integration step failed to run.
So, I think that src/polymer_tcl.c have a bug like follows:

649    else if (ARG_IS_S(i, "bond") || ARG_IS_S(i, "FENE")) {
650      if(i+1 < argc) {
651	if (ARG_IS_I(i+1, type_bond)) { 
652	  Tcl_AppendResult(interp, "The type-# of the bind-interaction must be integer (got: ",
653			   argv[i+1],")!", (char *)NULL); 
654	  return (TCL_ERROR); 
655	} else { i++; }
      
In line 651, if (ARG_IS_I(i+1, type_bond)) should be changed to
if (!ARG_IS_I(i+1, type_bond)) by adding negate operator (!) before ARG_IS.

After that, pe_network.tcl script succed to finish all integration.
Please, I hope this will be considered by you.

Have a good day !!

Hwan Won, Chung
Korea Institute of Science and Technology.