git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9633 f3b2605a-c512-4ea7-a41b-209d697bcdaa

tools/phonon/interpolate.h

@@ -0,0 +1,43 @@
+#ifndef INTERPOLATION_H
+#define INTERPOLATION_H
+
+#include "stdio.h"
+#include "stdlib.h"
+#include "string.h"
+#include "memory.h"
+#include <tricubic.h>
+extern "C"{
+#include "f2c.h"
+#include "clapack.h"
+}
+
+using namespace std;
+
+class Interpolate{
+public:
+  Interpolate(int, int, int, int, doublecomplex **);
+  ~Interpolate();
+
+  void set_method();
+  void execute(double *, doublecomplex *);
+  void reset_gamma();
+
+  int UseGamma;
+
+private:
+  void tricubic_init();
+  void tricubic(double *, doublecomplex *);
+  void trilinear(double *, doublecomplex *);
+  Memory *memory;
+
+  int which;
+  int Nx, Ny, Nz, Npt, ndim;
+  int flag_reset_gamma, flag_allocated_dfs;
+
+  doublecomplex **data;
+  doublecomplex **Dfdx, **Dfdy, **Dfdz, **D2fdxdy, **D2fdxdz, **D2fdydz, **D3fdxdydz;
+  double a[64], f[8], dfdx[8], dfdy[8], dfdz[8], d2fdxdy[8], d2fdxdz[8], d2fdydz[8], d3fdxdydz[8];
+  int vidx[8];
+};
+
+#endif