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root/freemol/branches/sync4pymol12/src/mengine/src/eangle.c
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# Line 321 | Line 321
321                     deriv.dea[ic][1] += dedyic;
322                     deriv.dea[ic][2] += dedzic;
323                    
324                   virial.virx += xab*dedxia + xcb*dedxic;
325                   virial.viry += yab*dedyia + ycb*dedyic;
326                   virial.virz += zab*dedzia + zcb*dedzic;
327
324                     energies.ebend += e;
325                  }  
326              } else
# Line 441 | Line 437
437                     deriv.dea[id][1] += dedyid;
438                     deriv.dea[id][2] += dedzid;
439  
444                  virial.virx += xad*dedxia + xbd*dedxib + xcd*dedxic;
445                  virial.viry += yad*dedyia + ybd*dedyib + ycd*dedyic;
446                  virial.virz += zad*dedzia + zbd*dedzib + zcd*dedzic;
440                  }
441              }
442          }        

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