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[ESPResSo-users] Implementation of S2 code

From: Muhammad Anwar
Subject: [ESPResSo-users] Implementation of S2 code
Date: Sat, 1 Oct 2011 13:40:40 +0200
User-agent: Thunderbird (X11/20101027)

Dear Users and developers,
I am trying to implement orientational order parameter algorithm in ESPResSo, i compiled it successfully, the problem i am finding is , when i try to calculate the parameter, it give result for one step then give message of "segmentation fault". I am following "lipid_orient_order" code to learn how to implement in espresso because it is very close to my work. The code is like this

int orient_order_S2(double* result)
{ *result = 0.0; //my code

  *result = -2*z2;
   return TCL_OK;

*and parse function is
static int tclcommand_analyze_parse_orient_order_S2(Tcl_Interp *interp, int argc, char **argv)
double result;
char buffer[TCL_DOUBLE_SPACE];
 int i , j ;
 result = 0;

 if (n_total_particles <= 1) {
   Tcl_AppendResult(interp, "(not enough particles)",
            (char *)NULL);
   return (TCL_OK);

 /* Do the calculation */
   if ( orient_order_S2(&result) != TCL_OK ) {
Tcl_AppendResult(interp, "Error calculating orientational order ", (char *)NULL);
   return TCL_ERROR;

     Tcl_PrintDouble(interp, result, buffer);
     Tcl_AppendResult(interp, buffer, (char *)NULL);
     return TCL_OK;
Tcl_AppendResult(interp, "Error calculating orientational order ", (char *)NULL);
     return TCL_ERROR;

I will really appreciate if any body can help about this problem.
Thanks and have a nice day.

Best Regards,
Muhammad Anwar

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