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root/group/trunk/OOPSE-4/src/types/AtomType.cpp
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Comparing trunk/OOPSE-4/src/types/AtomType.cpp (file contents):
Revision 2062 by tim, Fri Feb 25 21:22:00 2005 UTC vs.
Revision 2089 by gezelter, Tue Mar 8 21:07:27 2005 UTC

# Line 50 | Line 50
50   #include "UseTheForce/DarkSide/atype_interface.h"
51   #include "UseTheForce/DarkSide/lj_interface.h"
52   #include "UseTheForce/DarkSide/eam_interface.h"
53 < #include "UseTheForce/DarkSide/charge_interface.h"
53 > #include "UseTheForce/DarkSide/electrostatic_interface.h"
54   namespace oopse {
55    AtomType::AtomType(){
56      
# Line 147 | Line 147 | void AtomType::complete() {
147          }
148      }
149  
150 +    if (isElectrostatic()) {
151 +      newElectrostaticType(&atp, &isError);
152 +      if (isError != 0) {
153 +        sprintf( painCave.errMsg,
154 +                 "Fortran rejected newElectrostaticType\n");
155 +        painCave.severity = OOPSE_ERROR;
156 +        painCave.isFatal = 1;
157 +        simError();          
158 +      }
159 +    }
160 +      
161      if (isCharge()) {
162          data = getPropertyByName("Charge");
163          if (data != NULL) {
# Line 154 | Line 165 | void AtomType::complete() {
165  
166              if (doubleData != NULL) {
167                  double charge = doubleData->getData();
168 <                newChargeType(&atp.ident, &charge, &isError);
169 <
168 >                setCharge(&atp.ident, &charge, &isError);
169 >                
170                  if (isError != 0) {
171                      sprintf( painCave.errMsg,
172 <                           "Fortran rejected newChargeType\n");
172 >                           "Fortran rejected setCharge\n");
173                      painCave.severity = OOPSE_ERROR;
174                      painCave.isFatal = 1;
175                      simError();          

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