[ESPResSo] possible bug in rigid bonds in forces.h ?

[Ana Vila Verde]

Hi all,

I noticed that in forces.h (espresso-2.0.5l), array forces is not 
initialized in the part corresponding to rigid bonds.
#ifdef BOND_CONSTRAINT
   case BONDED_IA_RIGID_BOND:
     //add_rigid_bond_pair_force(p1,p2, iaparams, force, force2);
     bond_broken = 0;
     break;
#endif

Shouldn't it be initialized   to zero to prevent unphysical forces to be 
added to the particles? (see "case 1" further down in the subroutine)
#ifdef BOND_CONSTRAINT
   case BONDED_IA_RIGID_BOND:
     //add_rigid_bond_pair_force(p1,p2, iaparams, force, force2);
     bond_broken = 0;
     f*orce[0]=0.; force[1]=0;force[2]=0; // added by ana*
     break;
#endif

I realize that most likely I am missing something that explains why this 
initialization is not necessary, but I've struggled with this for a 
while so I figured it was time to ask the experts.  Thank you all for 
any help you can provide here.

Ana

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_______________________________________________________
Ana Vila Verde
Post-doctoral scholar
FOM Institute for Atomic and Molecular Physics [AMOLF]
P.O.Box 41883
1009 DB Amsterdam
The Netherlands
Phone: +31-20-6081392
Fax: +31-20-6684106
E-mail: address@hidden

University of Minho
Physics Center
Campus de Gualtar
4710-057 BRAGA
Portugal
E-mail:address@hidden
_______________________________________________________