xcoll 0.5.3__py3-none-any.whl → 0.5.4__py3-none-any.whl

xcoll/lossmap.py

@@ -1,5 +1,5 @@
 # copyright ############################### #
-# This file is part of the Xcoll Package.   #
+# This file is part of the Xcoll package.   #
 # Copyright (c) CERN, 2024.                 #
 # ######################################### #
 
@@ -160,14 +160,14 @@ class LossMap:
         coll_mask     = (self._part.state <= -330) & (self._part.state >= -340)
         coll_losses   = np.array([self._line.element_names[i]
                                   for i in self._part.at_element[coll_mask]])
-        coll_lengths  = [self._line[j].length for j in collimator_names] 
+        coll_lengths  = [self._line[j].length for j in collimator_names]
         coll_pos      = [(self._line.get_s_position(i) + self._line[i].length/2)
                          for i in collimator_names]
 
         if self._line_is_reversed:
             coll_pos  = [self._machine_length - s for s in coll_pos]
 
-        coll_types    = [self._line[i].__class__.__name__ for i in collimator_names]  
+        coll_types    = [self._line[i].__class__.__name__ for i in collimator_names]
         coll_weights  = self._weights[coll_mask]
         nabs          = [coll_weights[coll_losses == j].sum() for j in collimator_names]
 
@@ -198,7 +198,7 @@ class LossMap:
         # Create output arrays
         aper_pos     = np.unique(aper_s)
         aper_weights = self._weights[aper_mask]
-        aper_nabs    = [aper_weights[aper_s == j].sum() for j in aper_pos] 
+        aper_nabs    = [aper_weights[aper_s == j].sum() for j in aper_pos]
         aper_names   = [name_dict[ss] for ss in aper_pos]
 
         aper_energy = 0

xcoll/rf_sweep.py

@@ -1,5 +1,5 @@
 # copyright ############################### #
-# This file is part of the Xcoll Package.   #
+# This file is part of the Xcoll package.   #
 # Copyright (c) CERN, 2024.                 #
 # ######################################### #
 

xcoll/scattering_routines/everest/__init__.py

@@ -1,5 +1,5 @@
 # copyright ############################### #
-# This file is part of the Xcoll Package.   #
+# This file is part of the Xcoll package.   #
 # Copyright (c) CERN, 2024.                 #
 # ######################################### #
 

xcoll/scattering_routines/everest/amorphous.h

@@ -1,5 +1,5 @@
 // copyright ############################### #
-// This file is part of the Xcoll Package.   #
+// This file is part of the Xcoll package.   #
 // Copyright (c) CERN, 2023.                 #
 // ######################################### #
 
@@ -99,7 +99,7 @@ double amorphous_transport(EverestData restrict everest, LocalParticle* part, do
 double Channel(EverestData restrict everest, LocalParticle* part, CrystalGeometry restrict cg, double pc, double length);
 
 /*gpufun*/
-double Amorphous(EverestData restrict everest, LocalParticle* part, CrystalGeometry restrict cg, double pc, double length) {
+double Amorphous(EverestData restrict everest, LocalParticle* part, CrystalGeometry restrict cg, double pc, double length, int8_t allow_VI) {
 
     if (LocalParticle_get_state(part) < 1){
         // Do nothing if already absorbed
@@ -159,7 +159,7 @@ double Amorphous(EverestData restrict everest, LocalParticle* part, CrystalGeome
     // ------------------------------------------------------------------------
     // Compare the 3 lengths: the first one encountered is what will be applied
     // ------------------------------------------------------------------------
-    if (length_VI <= fmin(length_nucl, length_exit)){
+    if (length_VI <= fmin(length_nucl, length_exit) && allow_VI == 1){
         // MCS to volume interaction
         pc = amorphous_transport(everest, part, pc, length_VI, 0);
 #ifdef XCOLL_REFINE_ENERGY
@@ -170,7 +170,7 @@ double Amorphous(EverestData restrict everest, LocalParticle* part, CrystalGeome
             // Volume Reflection
             volume_reflection(everest, part, 0);
             // We call the main Amorphous function for the leftover
-            pc = Amorphous(everest, part, cg, pc, length - length_VI);
+            pc = Amorphous(everest, part, cg, pc, length - length_VI, 0);
 
         } else {
             // Volume Capture
@@ -180,7 +180,7 @@ double Amorphous(EverestData restrict everest, LocalParticle* part, CrystalGeome
         }
 
 #ifdef XCOLL_TRANSITION
-    } else if (length_VR_trans <= fmin(length_nucl, length_exit)){
+    } else if (length_VR_trans <= fmin(length_nucl, length_exit) && allow_VI == 1){
         // Transition region between VR and AM for t_P < xp - tI < t_P + 2t_c
 #ifdef XCOLL_REFINE_ENERGY
         calculate_critical_angle(everest, part, cg, pc);
@@ -193,10 +193,12 @@ double Amorphous(EverestData restrict everest, LocalParticle* part, CrystalGeome
             // We are on the VR side
             pc = amorphous_transport(everest, part, pc, length_VR_trans, 0);
             volume_reflection(everest, part, XC_VOLUME_REFLECTION_TRANS_MCS);
-            pc = amorphous_transport(everest, part, pc, length - length_VR_trans, 0);
+            pc = Amorphous(everest, part, cg,  pc, length - length_VR_trans, 0);
         } else {
             // We are on the AM side
-            pc = amorphous_transport(everest, part, pc, length, XC_MULTIPLE_COULOMB_TRANS_VR);
+            // if (sc) InteractionRecordData_log(record, record_index, part, XC_MULTIPLE_COULOMB_TRANS_VR);
+            pc = amorphous_transport(everest, part, pc, length_VR_trans, XC_MULTIPLE_COULOMB_TRANS_VR);
+            pc = Amorphous(everest, part, cg, pc, length - length_VR_trans, 0);
         }
 #endif
 
@@ -209,7 +211,7 @@ double Amorphous(EverestData restrict everest, LocalParticle* part, CrystalGeome
             LocalParticle_set_state(part, XC_LOST_ON_EVEREST_CRYSTAL);
         } else {
             // We call the main Amorphous function for the leftover
-            pc = Amorphous(everest, part, cg, pc, length - length_nucl);
+            pc = Amorphous(everest, part, cg, pc, length - length_nucl, 1);
         }
 
     } else {
@@ -222,7 +224,7 @@ double Amorphous(EverestData restrict everest, LocalParticle* part, CrystalGeome
             // We drift until re-entry
             Drift_single_particle_4d(part, s4 - exit_point);
             // We call the main Amorphous function for the leftover
-            pc = Amorphous(everest, part, cg, pc, length - length_exit - s4 + exit_point);
+            pc = Amorphous(everest, part, cg, pc, length - length_exit - s4 + exit_point, 1);
         }
     }
 

xcoll/scattering_routines/everest/channeling.h

@@ -1,5 +1,5 @@
 // copyright ############################### #
-// This file is part of the Xcoll Package.   #
+// This file is part of the Xcoll package.   #
 // Copyright (c) CERN, 2023.                 #
 // ######################################### #
 
@@ -156,7 +156,7 @@ double Channel(EverestData restrict everest, LocalParticle* part, CrystalGeometr
 #endif
         volume_reflection(everest, part, XC_VOLUME_REFLECTION_TRANS_CH);
 #endif
-        pc = Amorphous(everest, part, cg, pc, length);
+        pc = Amorphous(everest, part, cg, pc, length, 1);
 
     } else {
         // CHANNEL
@@ -207,7 +207,7 @@ double Channel(EverestData restrict everest, LocalParticle* part, CrystalGeometr
             pc               = result_chan[1];
             free(result_chan);
             if (sc) InteractionRecordData_log(record, record_index, part, XC_DECHANNELING);
-            pc = Amorphous(everest, part, cg, pc, length - channeled_length);
+            pc = Amorphous(everest, part, cg, pc, length - channeled_length, 1);
 
         } else {
             // Channel up to L_nucl, then scatter, then amorphous
@@ -229,7 +229,7 @@ double Channel(EverestData restrict everest, LocalParticle* part, CrystalGeometr
 #ifndef XCOLL_REFINE_ENERGY
                 calculate_scattering(everest, pc);
 #endif
-                pc = Amorphous(everest, part, cg, pc, length - channeled_length);
+                pc = Amorphous(everest, part, cg, pc, length - channeled_length, 1);
             }
         }
     }

xcoll/scattering_routines/everest/constants.h

@@ -1,5 +1,5 @@
 // copyright ############################### #
-// This file is part of the Xcoll Package.   #
+// This file is part of the Xcoll package.   #
 // Copyright (c) CERN, 2023.                 #
 // ######################################### #
 

xcoll/scattering_routines/everest/crystal_parameters.h

@@ -1,5 +1,5 @@
 // copyright ############################### #
-// This file is part of the Xcoll Package.   #
+// This file is part of the Xcoll package.   #
 // Copyright (c) CERN, 2023.                 #
 // ######################################### #
 
@@ -11,7 +11,7 @@
 
 
 /*gpufun*/
-void calculate_initial_angle(EverestData restrict everest, LocalParticle* part, CrystalGeometry restrict cg) {
+void calculate_initial_angle(EverestData restrict everest, LocalParticle* part, CrystalGeometry restrict cg){
     double R = cg->bending_radius;
     double s = LocalParticle_get_s(part);
     double x = LocalParticle_get_x(part);
@@ -24,7 +24,7 @@ void calculate_initial_angle(EverestData restrict everest, LocalParticle* part,
 
 
 /*gpufun*/
-void calculate_opening_angle(EverestData restrict everest, LocalParticle* part, CrystalGeometry restrict cg) {
+void calculate_opening_angle(EverestData restrict everest, LocalParticle* part, CrystalGeometry restrict cg){
     double t    = cg->bending_angle;
     double xd   = cg->width;
     double R    = cg->bending_radius;
@@ -76,27 +76,47 @@ void calculate_opening_angle(EverestData restrict everest, LocalParticle* part,
 
 
 /*gpufun*/
-void calculate_critical_angle(EverestData restrict everest, LocalParticle* part, CrystalGeometry restrict cg, double pc) {
+double _critical_angle0(EverestCollData restrict coll, double pc){
     // Define typical angles/probabilities for orientation 110
-    double eum   = everest->coll->eum;
-    double ai    = everest->coll->ai;
-    double eta   = everest->coll->eta;
-    double t_c0  = sqrt(2.e-9*eta*eum/pc); // Critical angle (rad) for straight crystals   // pc is actually beta pc
-    double Rcrit = pc/(2.e-6*sqrt(eta)*eum)*ai;  // Critical curvature radius [m]          // pc is actually beta pc
+    double eum   = coll->eum;
+    double eta   = coll->eta;
+    return sqrt(2.e-9*eta*eum/pc); // Critical angle (rad) for straight crystals    // pc is actually beta pc
+}
 
-    // If Rcritical > R => no channeling is possible (Rc_over_R > 1)
-    everest->Rc_over_R = Rcrit / fabs(cg->bending_radius);
-    everest->t_c0 = t_c0;
-    everest->t_c  = t_c0*(1 - everest->Rc_over_R); // Critical angle for curved crystal
+/*gpufun*/
+double _critical_radius(EverestCollData restrict coll, double pc){
+    // Define typical angles/probabilities for orientation 110
+    double eum   = coll->eum;
+    double ai    = coll->ai;
+    double eta   = coll->eta;
+    return pc/(2.e-6*sqrt(eta)*eum)*ai;  // Critical curvature radius [m]   // pc is actually beta pc
+}
 
-    if (everest->coll->orient == 2) {
-        everest->t_c *= 0.98;
+/*gpufun*/
+double _critical_angle(EverestCollData restrict coll, double t_c0, double Rc_over_R){
+    double t_c = 0;
+    if (Rc_over_R <= 1.) {
+        // Otherwise no channeling possible
+        t_c = t_c0*(1 - Rc_over_R); // Critical angle for curved crystal
+        if (coll->orient == 2) {
+            t_c *= 0.98;
+        }
     }
+    return t_c;
+}
+
+/*gpufun*/
+void calculate_critical_angle(EverestData restrict everest, LocalParticle* part, CrystalGeometry restrict cg, double pc){
+    // Define typical angles/probabilities for orientation 110
+    everest->t_c0  = _critical_angle0(everest->coll, pc);
+    double Rcrit = _critical_radius(everest->coll, pc);
+    everest->Rc_over_R = Rcrit / fabs(cg->bending_radius);
+    everest->t_c = _critical_angle(everest->coll, everest->t_c0, everest->Rc_over_R);
 }
 
 
 /*gpufun*/
-void calculate_VI_parameters(EverestData restrict everest, LocalParticle* part, double pc) {
+void calculate_VI_parameters(EverestData restrict everest, LocalParticle* part, double pc){
 
     double ratio = everest->Rc_over_R;
     double t_c0  = everest->t_c0;

xcoll/scattering_routines/everest/everest.h

@@ -1,5 +1,5 @@
 // copyright ############################### #
-// This file is part of the Xcoll Package.   #
+// This file is part of the Xcoll package.   #
 // Copyright (c) CERN, 2024.                 #
 // ######################################### #
 
@@ -64,6 +64,14 @@ typedef struct EverestData_ {
 typedef EverestData_ *EverestData;
 
 
+/*gpufun*/
+double LocalParticle_get_energy(LocalParticle* part){
+    double mass_ratio = LocalParticle_get_charge_ratio(part) / LocalParticle_get_chi(part);
+    return (LocalParticle_get_ptau(part)*LocalParticle_get_p0c(part) \
+            + LocalParticle_get_energy0(part)) * mass_ratio;
+}
+
+
 /*gpufun*/
 double drift_zeta_single(double rvv, double xp, double yp, double length){
     double const rv0v = 1./rvv;
@@ -94,4 +102,4 @@ void RandomRutherford_set_by_xcoll_material(RandomRutherfordData ran, GeneralMat
     RandomRutherford_set(ran, A, B, lcut, hcut);
 }
 
-#endif /* XCOLL_EVEREST_ENGINE_H */
+#endif /* XCOLL_EVEREST_ENGINE_H */

xcoll/scattering_routines/everest/everest.py

@@ -1,5 +1,5 @@
 # copyright ############################### #
-# This file is part of the Xcoll Package.   #
+# This file is part of the Xcoll package.   #
 # Copyright (c) CERN, 2024.                 #
 # ######################################### #
 

xcoll/scattering_routines/everest/jaw.h

@@ -1,5 +1,5 @@
 // copyright ############################### #
-// This file is part of the Xcoll Package.   #
+// This file is part of the Xcoll package.   #
 // Copyright (c) CERN, 2024.                 #
 // ######################################### #
 
@@ -59,7 +59,6 @@ double jaw(EverestData restrict everest, LocalParticle* part, double p, double l
         double s = LocalParticle_get_s(part) - s0;
         p = p-m_dpodx*s; // TODO: This is correct: ionisation loss is only calculated and applied at end of while (break)
     }
-
     return p*1e9;  // Back to eV
 }
 

xcoll/scattering_routines/everest/materials.py

@@ -1,5 +1,5 @@
 # copyright ############################### #
-# This file is part of the Xcoll Package.   #
+# This file is part of the Xcoll package.   #
 # Copyright (c) CERN, 2024.                 #
 # ######################################### #
 

xcoll/scattering_routines/everest/multiple_coulomb_scattering.h

@@ -1,5 +1,5 @@
 // copyright ############################### #
-// This file is part of the Xcoll Package.   #
+// This file is part of the Xcoll package.   #
 // Copyright (c) CERN, 2024.                 #
 // ######################################### #
 
@@ -39,7 +39,7 @@ double soln3(double a, double b, double dh, double smax) {
         }
         return s;
     }
-    if (a == 0) {    
+    if (a == 0) {
         if (b > 0) {
             s = pow(b,2);
         } else {
@@ -160,15 +160,16 @@ void mcs(EverestData restrict everest, LocalParticle* part, double length, doubl
             x  = res[0];
             xp = res[1];
             free(res);
-            if (x <= 0) {
-                s = rlen0 - rlen + s;
-                break; // go to 20
+            if (x < 0) {
+                // extrapolation back to where x = 0
+                s = rlen0 - rlen + (s - x/xp);
+                x = 0.0;
+                break;
             }
             if (s + dh >= rlen) {
                 s = rlen0;
-                break; // go to 20
+                break;
             }
-            // go to 10
             rlen = rlen - s;
         }
 
@@ -198,4 +199,4 @@ void mcs(EverestData restrict everest, LocalParticle* part, double length, doubl
     if (sc) InteractionRecordData_log_child(record, i_slot, part);
 }
 
-#endif /* XCOLL_EVEREST_MCS_H */
+#endif /* XCOLL_EVEREST_MCS_H */

xcoll/scattering_routines/everest/nuclear_interaction.h

@@ -1,5 +1,5 @@
 // copyright ############################### #
-// This file is part of the Xcoll Package.   #
+// This file is part of the Xcoll package.   #
 // Copyright (c) CERN, 2024.                 #
 // ######################################### #
 

xcoll/scattering_routines/everest/properties.h

@@ -1,5 +1,5 @@
 // copyright ############################### #
-// This file is part of the Xcoll Package.   #
+// This file is part of the Xcoll package.   #
 // Copyright (c) CERN, 2023.                 #
 // ######################################### #
 

xcoll/scattering_routines/geometry/__init__.py

@@ -1,5 +1,5 @@
 # copyright ############################### #
-# This file is part of the Xcoll Package.   #
+# This file is part of the Xcoll package.   #
 # Copyright (c) CERN, 2024.                 #
 # ######################################### #
 

xcoll/scattering_routines/geometry/collimator_geometry.h

@@ -1,5 +1,5 @@
 // copyright ############################### #
-// This file is part of the Xcoll Package.   #
+// This file is part of the Xcoll package.   #
 // Copyright (c) CERN, 2024.                 #
 // ######################################### #
 

xcoll/scattering_routines/geometry/crystal_geometry.h

@@ -1,5 +1,5 @@
 // copyright ############################### #
-// This file is part of the Xcoll Package.   #
+// This file is part of the Xcoll package.   #
 // Copyright (c) CERN, 2024.                 #
 // ######################################### #
 

xcoll/scattering_routines/geometry/geometry.py

@@ -1,5 +1,5 @@
 # copyright ############################### #
-# This file is part of the Xcoll Package.   #
+# This file is part of the Xcoll package.   #
 # Copyright (c) CERN, 2024.                 #
 # ######################################### #
 

xcoll/scattering_routines/geometry/get_s.h

@@ -1,5 +1,5 @@
 // copyright ############################### #
-// This file is part of the Xcoll Package.   #
+// This file is part of the Xcoll package.   #
 // Copyright (c) CERN, 2024.                 #
 // ######################################### #
 

xcoll/scattering_routines/geometry/methods.h

@@ -1,5 +1,5 @@
 // copyright ############################### #
-// This file is part of the Xcoll Package.   #
+// This file is part of the Xcoll package.   #
 // Copyright (c) CERN, 2024.                 #
 // ######################################### #
 

xcoll/scattering_routines/geometry/objects.h

@@ -1,5 +1,5 @@
 // copyright ############################### #
-// This file is part of the Xcoll Package.   #
+// This file is part of the Xcoll package.   #
 // Copyright (c) CERN, 2024.                 #
 // ######################################### #
 

xcoll/scattering_routines/geometry/rotation.h

@@ -1,5 +1,5 @@
 // copyright ############################### #
-// This file is part of the Xcoll Package.   #
+// This file is part of the Xcoll package.   #
 // Copyright (c) CERN, 2024.                 #
 // ######################################### #
 

xcoll/scattering_routines/geometry/segments.h

@@ -1,5 +1,5 @@
 // copyright ############################### #
-// This file is part of the Xcoll Package.   #
+// This file is part of the Xcoll package.   #
 // Copyright (c) CERN, 2024.                 #
 // ######################################### #
 

xcoll/scattering_routines/geometry/sort.h

@@ -1,5 +1,5 @@
 // copyright ############################### #
-// This file is part of the Xcoll Package.   #
+// This file is part of the Xcoll package.   #
 // Copyright (c) CERN, 2024.                 #
 // ######################################### #