Compound bindings added, use with compound_list_bca_c

Author: drobnyjt

RustBCA.h

@@ -1,124 +1,124 @@
-#include <cstdarg>
-#include <cstdint>
-#include <cstdlib>
-#include <ostream>
-#include <new>
-#include <cmath>
-
-static const double PI = M_PI;
-
-static const double FRAC_2_SQRT_PI = M_2_PI;
-
-static const double SQRT_2 = M_SQRT2;
-
-///Fundamental charge in Coulombs.
-static const double Q = 1.602176634e-19;
-
-/// One electron-volt in Joules.
-static const double EV = Q;
-
-/// One atomic mass unit in kilograms.
-static const double AMU = 1.66053906660e-27;
-
-/// One Angstrom in meters.
-static const double ANGSTROM = 1e-10;
-
-/// One micron in meters.
-static const double MICRON = 1e-6;
-
-/// One nanometer in meters.
-static const double NM = 1e-9;
-
-/// One centimeter in meters.
-static const double CM = 1e-2;
-
-/// Vacuum permitivity in Farads/meter.
-static const double EPS0 = 8.8541878128e-12;
-
-/// Bohr radius in meters.
-static const double A0 = 5.29177210903e-11;
-
-/// Electron mass in kilograms.
-static const double ME = 9.1093837015e-31;
-
-/// sqrt(pi).
-static const double SQRTPI = (2. / FRAC_2_SQRT_PI);
-
-/// sqrt(2 * pi).
-static const double SQRT2PI = ((2. * SQRT_2) / FRAC_2_SQRT_PI);
-
-/// Speed of light in meters/second.
-static const double C = 299792458.;
-
-/// Bethe-Bloch electronic stopping prefactor, in SI units.
-static const double BETHE_BLOCH_PREFACTOR = ((((((4. * PI) * ((Q * Q) / ((4. * PI) * EPS0))) * ((Q * Q) / ((4. * PI) * EPS0))) / ME) / C) / C);
-
-/// Lindhard-Scharff electronic stopping prefactor, in SI units.
-static const double LINDHARD_SCHARFF_PREFACTOR = (((1.212 * ANGSTROM) * ANGSTROM) * Q);
-
-/// Lindhard reduced energy prefactor, in SI units.
-static const double LINDHARD_REDUCED_ENERGY_PREFACTOR = ((((4. * PI) * EPS0) / Q) / Q);
-
-struct OutputBCA {
-  uintptr_t len;
-  double (*particles)[9];
-};
-
-struct InputSimpleBCA {
-  uintptr_t len;
-  /// vx, vy, vz
-  double (*velocities)[3];
-  double Z1;
-  double m1;
-  double Ec1;
-  double Es1;
-  double Z2;
-  double m2;
-  double n2;
-  double Ec2;
-  double Es2;
-  double Eb2;
-};
-
-struct InputCompoundBCA {
-  uintptr_t len;
-  /// vx, vy, vz
-  double (*velocities)[3];
-  double Z1;
-  double m1;
-  double Ec1;
-  double Es1;
-  uintptr_t num_species_target;
-  double *Z2;
-  double *m2;
-  double *n2;
-  double *Ec2;
-  double *Es2;
-  double *Eb2;
-};
-
-extern "C" {
-
-OutputBCA simple_bca_list_c(InputSimpleBCA input);
-
-OutputBCA compound_bca_list_c(InputCompoundBCA input);
-
-OutputBCA simple_bca_c(double x,
-                       double y,
-                       double z,
-                       double ux,
-                       double uy,
-                       double uz,
-                       double E1,
-                       double Z1,
-                       double m1,
-                       double Ec1,
-                       double Es1,
-                       double Z2,
-                       double m2,
-                       double Ec2,
-                       double Es2,
-                       double n2,
-                       double Eb2);
-
-} // extern "C"
+#include <cstdarg>
+#include <cstdint>
+#include <cstdlib>
+#include <ostream>
+#include <new>
+#include <cmath>
+
+static const double PI = M_PI;
+
+static const double FRAC_2_SQRT_PI = M_2_PI;
+
+static const double SQRT_2 = M_SQRT2;
+
+///Fundamental charge in Coulombs.
+static const double Q = 1.602176634e-19;
+
+/// One electron-volt in Joules.
+static const double EV = Q;
+
+/// One atomic mass unit in kilograms.
+static const double AMU = 1.66053906660e-27;
+
+/// One Angstrom in meters.
+static const double ANGSTROM = 1e-10;
+
+/// One micron in meters.
+static const double MICRON = 1e-6;
+
+/// One nanometer in meters.
+static const double NM = 1e-9;
+
+/// One centimeter in meters.
+static const double CM = 1e-2;
+
+/// Vacuum permitivity in Farads/meter.
+static const double EPS0 = 8.8541878128e-12;
+
+/// Bohr radius in meters.
+static const double A0 = 5.29177210903e-11;
+
+/// Electron mass in kilograms.
+static const double ME = 9.1093837015e-31;
+
+/// sqrt(pi).
+static const double SQRTPI = (2. / FRAC_2_SQRT_PI);
+
+/// sqrt(2 * pi).
+static const double SQRT2PI = ((2. * SQRT_2) / FRAC_2_SQRT_PI);
+
+/// Speed of light in meters/second.
+static const double C = 299792458.;
+
+/// Bethe-Bloch electronic stopping prefactor, in SI units.
+static const double BETHE_BLOCH_PREFACTOR = ((((((4. * PI) * ((Q * Q) / ((4. * PI) * EPS0))) * ((Q * Q) / ((4. * PI) * EPS0))) / ME) / C) / C);
+
+/// Lindhard-Scharff electronic stopping prefactor, in SI units.
+static const double LINDHARD_SCHARFF_PREFACTOR = (((1.212 * ANGSTROM) * ANGSTROM) * Q);
+
+/// Lindhard reduced energy prefactor, in SI units.
+static const double LINDHARD_REDUCED_ENERGY_PREFACTOR = ((((4. * PI) * EPS0) / Q) / Q);
+
+struct OutputBCA {
+  uintptr_t len;
+  double (*particles)[9];
+};
+
+struct InputSimpleBCA {
+  uintptr_t len;
+  /// vx, vy, vz
+  double (*velocities)[3];
+  double Z1;
+  double m1;
+  double Ec1;
+  double Es1;
+  double Z2;
+  double m2;
+  double n2;
+  double Ec2;
+  double Es2;
+  double Eb2;
+};
+
+struct InputCompoundBCA {
+  uintptr_t len;
+  /// vx, vy, vz
+  double (*velocities)[3];
+  double Z1;
+  double m1;
+  double Ec1;
+  double Es1;
+  uintptr_t num_species_target;
+  double *Z2;
+  double *m2;
+  double *n2;
+  double *Ec2;
+  double *Es2;
+  double *Eb2;
+};
+
+extern "C" {
+
+OutputBCA simple_bca_list_c(InputSimpleBCA input);
+
+OutputBCA compound_bca_list_c(InputCompoundBCA input);
+
+OutputBCA simple_bca_c(double x,
+                       double y,
+                       double z,
+                       double ux,
+                       double uy,
+                       double uz,
+                       double E1,
+                       double Z1,
+                       double m1,
+                       double Ec1,
+                       double Es1,
+                       double Z2,
+                       double m2,
+                       double Ec2,
+                       double Es2,
+                       double n2,
+                       double Eb2);
+
+} // extern "C"