Fixed revert

src/TabulatedPotential.cu

@@ -180,80 +180,3 @@ int FullTabulatedPotential::countValueLines(const char* fileName) {
 
 	return count;
 }
-
-void TabulatedPotential::truncate(float cutoff) {
-	int home = int(floor((cutoff - r0)/dr));
-	if (home > n) return;
-
-	float v = v0[home];
-	for (int i = home; i < n; i++) v0[i] = v;
-	interpolate();
-}
-
-bool TabulatedPotential::truncate(float switchDist, float cutoff, float value) {
-	int indOff = int(floor((cutoff - r0)/dr));
-	int indSwitch = int(floor((switchDist - r0)/dr));
-
-	if (indSwitch > n) return false;
-
-	// Set everything after the cutoff to "value".
-	for (int i = indOff; i < n; i++) v0[i] = value;
-    
-	// Apply a linear switch.
-	float v = v0[indSwitch];
-	float m = (value - v)/(indOff - indSwitch);
-	for (int i = indSwitch; i < indOff; i++) v0[i] = m*(i - indSwitch) + v;
-
-	interpolate();
-	return true;
-}
-
-Vector3 TabulatedPotential::computeForce(Vector3 r) {
-	float d = r.length();
-	Vector3 rUnit = -r/d;
-	int home = int(floor((d - r0)/dr));
-
-	if (home < 0) return Vector3(0.0f);
-	if (home >= n) return Vector3(0.0f);
-        
-	float homeR = home*dr + r0;
-	float w = (d - homeR)/dr;
-   
-	// Interpolate.
-	Vector3 force = -(3.0f*v3[home]*w*w + 2.0f*v2[home]*w + v1[home])*rUnit/dr;
-	return force;
-}
- 
-void TabulatedPotential::init(const float* dist, const float* pot, int n0) {
-	n = abs(n0);
-	dr = dist[1]-dist[0];
-	r0 = dist[0];
-	r1 = r0 + n*dr;
-
-	v0 = new float[n];
-	for (int i = 0; i < n; i++) v0[i] = pot[i];
-}
-  
-void TabulatedPotential::interpolate() {
-	v1 = new float[n];
-	v2 = new float[n];
-	v3 = new float[n];
-
-	for (int i = 0; i < n; i++) {
-		int i0 = i - 1;
-		int i1 = i;
-		int i2 = i + 1;
-		int i3 = i + 2;
-
-		if (i0 < 0) i0 = 0;
-		if (i2 >= n) i2 = n-1;
-		if (i3 >= n) i3 = n-1;
-
-		v3[i] = 0.5f*(-v0[i0] + 3.0f*v0[i1] - 3.0f*v0[i2] + v0[i3]);
-		v2[i] = 0.5f*(2.0f*v0[i0] - 5.0f*v0[i1] + 4.0f*v0[i2] - v0[i3]);
-		v1[i] = 0.5f*(-v0[i0] + v0[i2]);
-	}
-	e0 = v3[n-1] + v2[n-1] + v1[n-1] + v0[n-1];
-}
- 
->>>>>>> parent of 7b4247c... Merge branch 'feat/bondangle' into release

src/TabulatedPotential.h

@@ -14,6 +14,12 @@
 #include "useful.h"
 #include <cuda.h>
 
+#ifndef gpuErrchk
+#define delgpuErrchk
+#define gpuErrchk(code) { if ((code) != cudaSuccess) {			                            \
+	    fprintf(stderr,"CUDA Error: %s %s %d\n", cudaGetErrorString(code), __FILE__, __LINE__); \
+	}}
+#endif
 
 class EnergyForce {
 public:
@@ -171,4 +177,8 @@ private:
   float drInv; //TODO replace with drInv
   float r0;
 };
+#ifndef delgpuErrchk
+#undef  delgpuErrchk
+#undef  gpuErrchk
+#endif
 #endif