ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/UseTheForce/DUFF.cpp
(Generate patch)

Comparing trunk/src/UseTheForce/DUFF.cpp (file contents):
Revision 3 by tim, Fri Sep 24 16:27:58 2004 UTC vs.
Revision 128 by gezelter, Wed Oct 20 21:52:20 2004 UTC

# Line 8 | Line 8 | using namespace std;
8   #include "UseTheForce/ForceFields.hpp"
9   #include "primitives/SRI.hpp"
10   #include "utils/simError.h"
11 + #include "UseTheForce/DarkSide/sticky_interface.h"
12 + #include "UseTheForce/DarkSide/atype_interface.h"
13  
14 < #include "UseTheForce/fortranWrappers.hpp"
14 > //#include "UseTheForce/fortranWrappers.hpp"
15 >
16  
17   #ifdef IS_MPI
18   #include "UseTheForce/mpiForceField.h"
# Line 465 | Line 468 | DUFF::DUFF(){
468    currentBendType    = NULL;
469    headTorsionType    = NULL;
470    currentTorsionType = NULL;
468 –
469 –  // do the funtion wrapping
470 –  wrapMeFF( this );
471  
472  
473   #ifdef IS_MPI
# Line 801 | Line 801 | void DUFF::readParams( void ){
801      if(currentAtomType->isDipole) entry_plug->useDipoles = 1;
802      if(currentAtomType->isSSD) {
803        entry_plug->useSticky = 1;
804 <      set_sticky_params( &(currentAtomType->w0), &(currentAtomType->v0),
805 <                         &(currentAtomType->v0p),
806 <                         &(currentAtomType->rl), &(currentAtomType->ru),
807 <                         &(currentAtomType->rlp), &(currentAtomType->rup));
804 >      makeStickyType( &(currentAtomType->w0), &(currentAtomType->v0),
805 >                      &(currentAtomType->v0p),
806 >                      &(currentAtomType->rl), &(currentAtomType->ru),
807 >                      &(currentAtomType->rlp), &(currentAtomType->rup));
808      }
809  
810      if( currentAtomType->name[0] != '\0' ){

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines