Cleanup deposition and gather routines (#4978)

* Initial clean up of current deposition * Fix of current deposition * Further cleanup of current deposition * Cleanup SharedDepositionUtils * Clean up in charge deposition * Clean up field gather plus other fixes * Change LowerCorner to return XDim3, add InvCellSize * Change variable name in Lower and UpperCorner to avoid confusion * Add const * Update RepellingParticles CI test * Update Python_ionization CI test * Update ionization_boost and ionization_lab CI tests * Update PEC_particle CI test * Update BTD_rz CI test
ECP-WarpX · Jun 18, 2024 · 41fc45b · 41fc45b
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diff --git a/Examples/Tests/repelling_particles/analysis_repelling.py b/Examples/Tests/repelling_particles/analysis_repelling.py
@@ -36,7 +36,7 @@
 
 # Check plotfile name specified in command line
 last_filename = sys.argv[1]
-filename_radical = re.findall('(.*?)\d+/*$', last_filename)[0]
+filename_radical = re.findall(r'(.*?)\d+/*$', last_filename)[0]
 
 # Loop through files, and extract the position and velocity of both particles
 x1 = []
@@ -48,10 +48,10 @@
     ds = yt.load(filename)
     ad = ds.all_data()
 
-    x1.append( float(ad[('electron1','particle_position_x')]) )
-    x2.append( float(ad[('electron2','particle_position_x')]) )
-    beta1.append( float(ad[('electron1','particle_momentum_x')])/(m_e*c) )
-    beta2.append( float(ad[('electron2','particle_momentum_x')])/(m_e*c) )
+    x1.append( float(ad[('electron1','particle_position_x')][0]) )
+    x2.append( float(ad[('electron2','particle_position_x')][0]) )
+    beta1.append( float(ad[('electron1','particle_momentum_x')][0])/(m_e*c) )
+    beta2.append( float(ad[('electron2','particle_momentum_x')][0])/(m_e*c) )
 
 # Convert to numpy array
 x1 = np.array(x1)

diff --git a/Regression/Checksum/benchmarks_json/BTD_rz.json b/Regression/Checksum/benchmarks_json/BTD_rz.json
@@ -1,13 +1,13 @@
 {
   "lev=0": {
-    "Br": 1.8705552264208163e-08,
-    "Bt": 2380179.5677922587,
-    "Bz": 2.4079077116116535e-08,
+    "Br": 1.8705569155952808e-08,
+    "Bt": 2380179.567792259,
+    "Bz": 2.4079063431898616e-08,
     "Er": 497571119514841.25,
-    "Et": 7.048225464720808,
-    "Ez": 137058870936728.28,
+    "Et": 7.048223219552,
+    "Ez": 137058870936728.23,
     "jr": 0.0,
     "jt": 0.0,
     "jz": 0.0
   }
-}
+}
diff --git a/Regression/Checksum/benchmarks_json/PEC_particle.json b/Regression/Checksum/benchmarks_json/PEC_particle.json
@@ -1,31 +1,31 @@
 {
   "lev=0": {
-    "Bx": 6.52080713617892e-07,
-    "By": 5.323555640562078e-18,
-    "Bz": 1.1834601056649145e-06,
-    "Ex": 300.06725745121753,
-    "Ey": 320.82687281173185,
-    "Ez": 185.62208934593673,
-    "jx": 1.857782359527958e-06,
-    "jy": 257766.55567863808,
+    "Bx": 6.5208071361789e-07,
+    "By": 5.323579900863346e-18,
+    "Bz": 1.1834601056649094e-06,
+    "Ex": 300.0672574512165,
+    "Ey": 320.82687281173,
+    "Ez": 185.62208934593605,
+    "jx": 1.8577823595279576e-06,
+    "jy": 257766.5556786359,
     "jz": 0.0
   },
+  "electron": {
+    "particle_momentum_x": 1.1142179380730402e-32,
+    "particle_momentum_y": 4.5160903214571184e-36,
+    "particle_momentum_z": 5.735409609139057e-50,
+    "particle_position_x": 3.199800000000006e-05,
+    "particle_position_y": 6.267072536608953e-23,
+    "particle_position_z": 3.3938629027782103e-37,
+    "particle_weight": 1.0
+  },
   "proton": {
-    "particle_momentum_x": 1.0975605406855061e-33,
+    "particle_momentum_x": 1.097560540685506e-33,
     "particle_momentum_y": 1.002878875615427e-18,
-    "particle_momentum_z": 5.084424741580567e-51,
+    "particle_momentum_z": 8.484417024161229e-51,
     "particle_position_x": 3.1998e-05,
     "particle_position_y": 6.572670690061996e-06,
-    "particle_position_z": 5.681444715216788e-38,
-    "particle_weight": 1.0
-  },
-  "electron": {
-    "particle_momentum_x": 1.1142179380730476e-32,
-    "particle_momentum_y": 4.516090321457367e-36,
-    "particle_momentum_z": 2.2354046360787e-50,
-    "particle_position_x": 3.199800000000006e-05,
-    "particle_position_y": 6.267072536609136e-23,
-    "particle_position_z": 1.4145775327446577e-37,
+    "particle_position_z": 4.372139867361774e-39,
     "particle_weight": 1.0
   }
 }
diff --git a/Regression/Checksum/benchmarks_json/Python_ionization.json b/Regression/Checksum/benchmarks_json/Python_ionization.json
@@ -3,30 +3,30 @@
     "Bx": 0.0,
     "By": 26296568.434868,
     "Bz": 0.0,
-    "Ex": 7878103122971888.0,
+    "Ex": 7878103122971890.0,
     "Ey": 0.0,
-    "Ez": 3027.995293554466,
-    "jx": 1.2111358330750162e+16,
+    "Ez": 3027.738911163427,
+    "jx": 1.2111358330750164e+16,
     "jy": 0.0,
-    "jz": 1.3483401471475687e-07
+    "jz": 1.3523766702993914e-07
+  },
+  "electrons": {
+    "particle_momentum_x": 4.4237309006289776e-18,
+    "particle_momentum_y": 0.0,
+    "particle_momentum_z": 2.643146520891287e-18,
+    "particle_orig_z": 0.4306994012391905,
+    "particle_position_x": 0.11013574385450274,
+    "particle_position_y": 0.6415447480129455,
+    "particle_weight": 3.4456249999999997e-10
   },
   "ions": {
     "particle_ionizationLevel": 72897.0,
-    "particle_momentum_x": 1.76132401934254e-18,
+    "particle_momentum_x": 1.7613240193425407e-18,
     "particle_momentum_y": 0.0,
-    "particle_momentum_z": 3.644887053263054e-23,
+    "particle_momentum_z": 3.6448870533515125e-23,
     "particle_orig_z": 0.128,
     "particle_position_x": 0.03200001189420337,
     "particle_position_y": 0.1280000046901387,
     "particle_weight": 9.999999999999999e-11
-  },
-  "electrons": {
-    "particle_momentum_x": 4.4206237143449475e-18,
-    "particle_momentum_y": 0.0,
-    "particle_momentum_z": 2.6361297302081026e-18,
-    "particle_orig_z": 0.4305565137391907,
-    "particle_position_x": 0.11009154442846772,
-    "particle_position_y": 0.6414658436421568,
-    "particle_weight": 3.4450781249999996e-10
   }
 }
diff --git a/Regression/Checksum/benchmarks_json/RepellingParticles.json b/Regression/Checksum/benchmarks_json/RepellingParticles.json
@@ -1,32 +1,32 @@
 {
+  "lev=0": {
+    "Bx": 0.0,
+    "By": 10603.681421961119,
+    "Bz": 0.0,
+    "Ex": 12084698236273.04,
+    "Ey": 0.0,
+    "Ez": 16282812598779.527,
+    "F": 21124.39775810062,
+    "divE": 1.495787831639977e+18,
+    "jx": 496020344341010.9,
+    "jy": 0.0,
+    "jz": 10.641859867595102,
+    "rho": 6408706.535999998
+  },
   "electron1": {
-    "particle_momentum_x": 7.303686586478214e-23,
+    "particle_momentum_x": 7.303686586478215e-23,
     "particle_momentum_y": 0.0,
-    "particle_momentum_z": 1.556862195127266e-36,
-    "particle_position_x": 1.293487226551532e-05,
-    "particle_position_y": 1.777889117487881e-19,
+    "particle_momentum_z": 1.552083282915395e-36,
+    "particle_position_x": 1.293487226551533e-05,
+    "particle_position_y": 1.7783750855614515e-19,
     "particle_weight": 5000000000000.0
   },
   "electron2": {
-    "particle_momentum_x": 7.303686586477884e-23,
+    "particle_momentum_x": 7.303686586477887e-23,
     "particle_momentum_y": 0.0,
-    "particle_momentum_z": 1.567350238825104e-36,
+    "particle_momentum_z": 1.5731022908002534e-36,
     "particle_position_x": 1.293487226551495e-05,
-    "particle_position_y": 1.797289839952283e-19,
+    "particle_position_y": 1.7989574553330234e-19,
     "particle_weight": 5000000000000.0
-  },
-  "lev=0": {
-    "Bx": 0.0,
-    "By": 10603.68142196111,
-    "Bz": 0.0,
-    "Ex": 12084698236273.04,
-    "Ey": 0.0,
-    "Ez": 16282812598779.53,
-    "F": 21124.39775810061,
-    "divE": 1.495787831639981e+18,
-    "jx": 496020344341011.4,
-    "jy": 0.0,
-    "jz": 10.93513947024536,
-    "rho": 6408706.535999998
   }
-}
+}
diff --git a/Regression/Checksum/benchmarks_json/ionization_boost.json b/Regression/Checksum/benchmarks_json/ionization_boost.json
@@ -1,30 +1,30 @@
 {
   "lev=0": {
     "Bx": 0.0,
-    "By": 18263123.342891,
+    "By": 18263123.342890993,
     "Bz": 0.0,
-    "Ex": 5472992180428804.0,
+    "Ex": 5472992180428803.0,
     "Ey": 0.0,
-    "Ez": 922.5589707939612,
-    "jx": 12440856508004.96,
+    "Ez": 922.2798874201462,
+    "jx": 12440856508004.957,
     "jy": 0.0,
-    "jz": 78616.0000011086
-  },
-  "electrons": {
-    "particle_momentum_x": 2.1386770170623736e-17,
-    "particle_momentum_y": 0.0,
-    "particle_momentum_z": 1.7287241262743654e-17,
-    "particle_position_x": 0.11064981928849067,
-    "particle_position_y": 1.7121826057017473,
-    "particle_weight": 3.0755014319061045e-09
+    "jz": 78616.00000110897
   },
   "ions": {
     "particle_ionizationLevel": 52741.0,
-    "particle_momentum_x": 3.630619728387593e-18,
+    "particle_momentum_x": 3.630619728387586e-18,
     "particle_momentum_y": 0.0,
     "particle_momentum_z": 1.0432995297946715e-13,
     "particle_position_x": 0.021439968272741083,
     "particle_position_y": 0.4742770090248555,
     "particle_weight": 5.000948082142308e-10
+  },
+  "electrons": {
+    "particle_momentum_x": 2.138486151076505e-17,
+    "particle_momentum_y": 0.0,
+    "particle_momentum_z": 1.7285619821244245e-17,
+    "particle_position_x": 0.11066682695880013,
+    "particle_position_y": 1.712069774427624,
+    "particle_weight": 3.0755014319061037e-09
   }
-}
+}
diff --git a/Regression/Checksum/benchmarks_json/ionization_lab.json b/Regression/Checksum/benchmarks_json/ionization_lab.json
@@ -3,29 +3,29 @@
     "Bx": 0.0,
     "By": 26296568.434868,
     "Bz": 0.0,
-    "Ex": 7878103122971888.0,
+    "Ex": 7878103122971890.0,
     "Ey": 0.0,
-    "Ez": 3027.995293554467,
-    "jx": 1.2111358330750162e+16,
+    "Ez": 3027.7389111634266,
+    "jx": 1.2111358330750164e+16,
     "jy": 0.0,
-    "jz": 1.3575651149270143e-07
+    "jz": 1.355962687103163e-07
+  },
+  "electrons": {
+    "particle_momentum_x": 4.4195594812814575e-18,
+    "particle_momentum_y": 0.0,
+    "particle_momentum_z": 2.6520195422151263e-18,
+    "particle_orig_z": 0.43004993872230357,
+    "particle_position_x": 0.11017033205040265,
+    "particle_position_y": 0.6412498318709239,
+    "particle_weight": 3.442265625e-10
   },
   "ions": {
     "particle_ionizationLevel": 72897.0,
-    "particle_momentum_x": 1.7613240052056494e-18,
+    "particle_momentum_x": 1.761324005205651e-18,
     "particle_momentum_y": 0.0,
-    "particle_momentum_z": 3.6186967375178554e-23,
+    "particle_momentum_z": 3.618696737610014e-23,
     "particle_position_x": 0.0320000118071032,
     "particle_position_y": 0.12800000462171646,
     "particle_weight": 9.999999999999999e-11
-  },
-  "electrons": {
-    "particle_momentum_x": 4.428135211584547e-18,
-    "particle_momentum_y": 0.0,
-    "particle_momentum_z": 2.6627518442038486e-18,
-    "particle_orig_z": 0.43043207622230534,
-    "particle_position_x": 0.11023346490802505,
-    "particle_position_y": 0.6417814148540429,
-    "particle_weight": 3.44453125e-10
   }
-}
+}
diff --git a/Source/AcceleratorLattice/LatticeElementFinder.cpp b/Source/AcceleratorLattice/LatticeElementFinder.cpp
@@ -60,7 +60,7 @@ LatticeElementFinder::UpdateIndices (int const lev, amrex::MFIter const& a_mfi,
     // Note that the current box is used since the box may have been updated since
     // the initialization in InitElementFinder.
     const amrex::Box box = a_mfi.tilebox();
-    m_zmin = WarpX::LowerCorner(box, lev, 0._rt)[2];
+    m_zmin = WarpX::LowerCorner(box, lev, 0._rt).z;
     m_time = warpx.gett_new(lev);
 
     if (accelerator_lattice.h_quad.nelements > 0) {

diff --git a/Source/BoundaryConditions/WarpXFieldBoundaries.cpp b/Source/BoundaryConditions/WarpXFieldBoundaries.cpp
@@ -201,8 +201,8 @@ WarpX::ApplyFieldBoundaryOnAxis (amrex::MultiFab* Er, amrex::MultiFab* Et, amrex
         // Lower corner of tile box physical domain
         // Note that this is done before the tilebox.grow so that
         // these do not include the guard cells.
-        const std::array<amrex::Real, 3>& xyzmin = LowerCorner(tilebox, lev, 0._rt);
-        const amrex::Real rmin = xyzmin[0];
+        const amrex::XDim3 xyzmin = LowerCorner(tilebox, lev, 0._rt);
+        const amrex::Real rmin = xyzmin.x;
 
         // Skip blocks that don't touch the axis
         if (rmin > 0._rt) { continue; }

diff --git a/Source/Diagnostics/ReducedDiags/ColliderRelevant.cpp b/Source/Diagnostics/ReducedDiags/ColliderRelevant.cpp
@@ -441,8 +441,7 @@ void ColliderRelevant::ComputeDiags (int step)
             const int lev = 0;
 
             // define variables in preparation for field gathering
-            const std::array<amrex::Real,3>& dx = WarpX::CellSize(std::max(lev, 0));
-            const amrex::GpuArray<amrex::Real, 3> dx_arr = {dx[0], dx[1], dx[2]};
+            const amrex::XDim3 dinv = WarpX::InvCellSize(std::max(lev, 0));
             const amrex::MultiFab & Ex = warpx.getField(FieldType::Efield_aux, lev,0);
             const amrex::MultiFab & Ey = warpx.getField(FieldType::Efield_aux, lev,1);
             const amrex::MultiFab & Ez = warpx.getField(FieldType::Efield_aux, lev,2);
@@ -478,8 +477,7 @@ void ColliderRelevant::ComputeDiags (int step)
                 amrex::Box box = pti.tilebox();
                 box.grow(ngEB);
                 const amrex::Dim3 lo = amrex::lbound(box);
-                const std::array<amrex::Real, 3>& xyzmin = WarpX::LowerCorner(box, lev, 0._rt);
-                const amrex::GpuArray<amrex::Real, 3> xyzmin_arr = {xyzmin[0], xyzmin[1], xyzmin[2]};
+                const amrex::XDim3 xyzmin = WarpX::LowerCorner(box, lev, 0._rt);
                 const amrex::Array4<const amrex::Real> & ex_arr = Ex[pti].array();
                 const amrex::Array4<const amrex::Real> & ey_arr = Ey[pti].array();
                 const amrex::Array4<const amrex::Real> & ez_arr = Ez[pti].array();
@@ -515,7 +513,7 @@ void ColliderRelevant::ComputeDiags (int step)
                         ex_arr, ey_arr, ez_arr, bx_arr, by_arr, bz_arr,
                         ex_type, ey_type, ez_type,
                         bx_type, by_type, bz_type,
-                        dx_arr, xyzmin_arr, lo,
+                        dinv, xyzmin, lo,
                         n_rz_azimuthal_modes, nox, galerkin_interpolation);
                     // compute chi
                     amrex::Real chi = 0.0_rt;

diff --git a/Source/Diagnostics/ReducedDiags/FieldEnergy.cpp b/Source/Diagnostics/ReducedDiags/FieldEnergy.cpp
@@ -178,10 +178,10 @@ FieldEnergy::ComputeNorm2RZ(const amrex::MultiFab& field, const int lev)
         amrex::Box tb = convert(tilebox, field.ixType().toIntVect());
 
         // Lower corner of tile box physical domain
-        const std::array<amrex::Real, 3>& xyzmin = WarpX::LowerCorner(tilebox, lev, 0._rt);
+        const amrex::XDim3 xyzmin = WarpX::LowerCorner(tilebox, lev, 0._rt);
         const Dim3 lo = lbound(tilebox);
         const Dim3 hi = ubound(tilebox);
-        const Real rmin = xyzmin[0] + (tb.ixType().nodeCentered(0) ? 0._rt : 0.5_rt*dr);
+        const Real rmin = xyzmin.x + (tb.ixType().nodeCentered(0) ? 0._rt : 0.5_rt*dr);
         const int irmin = lo.x;
         const int irmax = hi.x;
 

diff --git a/Source/Diagnostics/ReducedDiags/FieldProbe.cpp b/Source/Diagnostics/ReducedDiags/FieldProbe.cpp
@@ -489,11 +489,8 @@ void FieldProbe::ComputeDiags (int step)
 
                 auto * const AMREX_RESTRICT idcpu = pti.GetStructOfArrays().GetIdCPUData().data();
 
-                const auto &xyzmin = WarpX::LowerCorner(box, lev, 0._rt);
-                const std::array<Real, 3> &dx = WarpX::CellSize(lev);
-
-                const amrex::GpuArray<amrex::Real, 3> dx_arr = {dx[0], dx[1], dx[2]};
-                const amrex::GpuArray<amrex::Real, 3> xyzmin_arr = {xyzmin[0], xyzmin[1], xyzmin[2]};
+                const amrex::XDim3 xyzmin = WarpX::LowerCorner(box, lev, 0._rt);
+                const amrex::XDim3 dinv = WarpX::InvCellSize(lev);
                 const Dim3 lo = lbound(box);
 
                 // Temporarily defining modes and interp outside ParallelFor to avoid GPU compilation errors.
@@ -514,7 +511,7 @@ void FieldProbe::ComputeDiags (int step)
                     doGatherShapeN(xp, yp, zp, Exp, Eyp, Ezp, Bxp, Byp, Bzp,
                                    arrEx, arrEy, arrEz, arrBx, arrBy, arrBz,
                                    Extype, Eytype, Eztype, Bxtype, Bytype, Bztype,
-                                   dx_arr, xyzmin_arr, lo, temp_modes,
+                                   dinv, xyzmin, lo, temp_modes,
                                    temp_interp_order, false);
 
                     //Calculate the Poynting Vector S