Added template function

Author: drmeister

tlm3_dihedral/Dihed.cc

@@ -24,20 +24,20 @@ void	sinNPhiCosNPhi(int n, float* sinNPhi, float* cosNPhi,
 
 template <int N>
 struct SinCos {
-  static void sinNPhiCosNPhi(double& sinNPhi, double& cosNPhi,
-                      double sinPhi, double cosPhi ) {
+  static void sinNPhiCosNPhi(float& sinNPhi, float& cosNPhi,
+                      float sinPhi, float cosPhi ) {
     float sinNm1Phi;
     float cosNm1Phi;
-    sinNPhiCosNPhi<N-1>(sinNm1Phi,cosNm1Phi,sinPhi,cosPhi);
+    SinCos<N-1>::sinNPhiCosNPhi(sinNm1Phi,cosNm1Phi,sinPhi,cosPhi);
     sinNPhi = cosPhi*sinNm1Phi+sinPhi*cosNm1Phi;
     cosNPhi = cosPhi*cosNm1Phi-sinPhi*sinNm1Phi;
   }
 };
 
 template <>
 struct SinCos<1> {
-  static void sinNPhiCosNPhi(double& sinNPhi, double& cosNPhi,
-                      double sinPhi, double cosPhi ) {
+  static void sinNPhiCosNPhi(float& sinNPhi, float& cosNPhi,
+                      float sinPhi, float cosPhi ) {
     sinNPhi = sinPhi;
     cosNPhi = cosPhi;
   }
@@ -83,7 +83,7 @@ float dihedral_energy(Dihedral* dihedral_begin, Dihedral* dihedral_end, float* p
   float cosPhase;
   float V;
   float DN;
-  float IN;
+  int IN;
   float x1, y1, z1;
   float x2, y2, z2;
   float x3, y3, z3;
@@ -150,7 +150,7 @@ float old_dihedral_energy(Dihedral* dihedral_begin, Dihedral*dihedral_end, float
   float cosPhase;
   float V;
   float DN;
-  float IN;
+  int IN;
   float x1, y1, z1;
   float x2, y2, z2;
   float x3, y3, z3;

tlm3_dihedral/makefile

@@ -1,11 +1,12 @@
 
 ENZYME_so=../../Enzyme/enzyme/build/Enzyme/LLVMEnzyme-15.so
 
+
 all-Dihed: cmp-Dihed ad-Dihed opt-Dihed lower-Dihed
 	echo done
 
 cmp-Dihed:
-	clang Dihed.cc -S -emit-llvm -o Dihed-cmp.ll -O2 -fno-vectorize -fno-slp-vectorize -fno-unroll-loops
+	clangi-15 Dihed.cc -S -emit-llvm -o Dihed-cmp.ll -O2 -fno-vectorize -fno-slp-vectorize -fno-unroll-loops
 
 ad-Dihed:
 	opt-15 Dihed-cmp.ll -enable-new-pm=0 -load=$(ENZYME_so) --enzyme -o Dihed-ad.ll -S