sPuReMD, PG-PuReMD: revert valence angle patch.

PG-PuReMD/src/cuda/cuda_valence_angles.cu

@@ -114,7 +114,7 @@ CUDA_GLOBAL void Cuda_Valence_Angles_Part1( reax_atom *my_atoms,
     else
     {
         vlpadj = workspace.nlp[j];
-        dSBO2 = (prod_SBO - 1.0) * (1.0 + p_val8 * workspace.dDelta_lp[j]);
+        dSBO2 = (prod_SBO - 1.0) * (1.0 - p_val8 * workspace.dDelta_lp[j]);
     }
 
     SBO = SBOp + (1.0 - prod_SBO) * (-workspace.Delta_boc[j] - p_val8 * vlpadj);

PG-PuReMD/src/valence_angles.c

@@ -186,7 +186,7 @@ void Valence_Angles( reax_system * const system, control_params * const control,
         else
         {
             vlpadj = workspace->nlp[j];
-            dSBO2 = (prod_SBO - 1.0) * (1.0 + p_val8 * workspace->dDelta_lp[j]);
+            dSBO2 = (prod_SBO - 1.0) * (1.0 - p_val8 * workspace->dDelta_lp[j]);
         }
 
         SBO = SBOp + (1.0 - prod_SBO) * (-workspace->Delta_boc[j] - p_val8 * vlpadj);

sPuReMD/src/valence_angles.c

@@ -208,7 +208,7 @@ void Valence_Angles( reax_system *system, control_params *control,
             else
             {
                 vlpadj = workspace->nlp[j];
-                dSBO2 = (prod_SBO - 1.0) * (1.0 + p_val8 * workspace->dDelta_lp[j]);
+                dSBO2 = (prod_SBO - 1.0) * (1.0 - p_val8 * workspace->dDelta_lp[j]);
             }
 
             SBO = SBOp + (1.0 - prod_SBO) * (-workspace->Delta_boc[j] - p_val8 * vlpadj);