Coupling WarpX with an ✨improved✨ version of the QED library (#1198)

* Initial work to couple improved QED module to WarpX

* WIP to couple with WarpX the new QED library

* Continuing work to couple the new version of the QED library with WarpX

* progress towards completing coupling with new version of QED library

* WarpX coupled with new version of QED library

* default behavior is to display table generation progress

* some host device functions are now device only

* fixed bug

* bugfixing

* updating tests

* updated test

* updated test

* added initial version of tests (not working)

* added check and updated a comment

* fixed bug

* added inputfiles and analysis script for new BW tests

* test for BW process are ready

* modified test

* make lgtm happy

* removed TABs

* initial work to add QS tests (not working)

* removed old tests

* fixed bug in script

* changed position of evolution of optical depth

* progress with QSR tests

* improved test

* very low energy photons are always eliminated

* added tests to regression suite

* improved test

* improved tests

* removed redundant parameter

* removed trailing white space

* updated documentation

* fix lgtm warnings

* fixed missing check on chi parameter

* fixed missing check on chi parameter & bugfixing

* improved comments

* increased tolerance in tests

* updated units in test

* now test succeds if the error is extremely small

* updated checksums

* fixed bug

* fixed some unused or uninitialized variables warnings

* now using ignore_unused instead of commenting out some variables

* fixed warnings

* partial fix of a test

* fixed test

* fixed test

* added checksums

* fixed tests

* fixed benchmark for qed_schwinger2

* removed checksums for tests which do no exist anymore

* fixed checksums for several qed tests

* fixed checksums for several qed tests

* fixed checksums

* removed unwanted checksum

* fixed checksum

* removed files which should have been deleted

* add some const

* [skip ci] added some docstrings and some const

* Update Source/Particles/ElementaryProcess/QEDInternals/BreitWheelerEngineWrapper.H

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/ElementaryProcess/QEDInternals/BreitWheelerEngineWrapper.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/ElementaryProcess/QEDInternals/QuantumSyncEngineWrapper.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* added some docstrings and some const

* replaced ManagedVectors with DeviceVectors

* Update Source/Particles/ElementaryProcess/QEDInternals/QedWrapperCommons.H

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* added some const

* removed unwanted assert

* updated comment

* changed position of GPU synchronization directive

* Update Docs/source/running_cpp/parameters.rst

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Examples/Modules/qed/quantum_synchrotron/analysis.py

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Examples/Modules/qed/quantum_synchrotron/analysis.py

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Examples/Modules/qed/breit_wheeler/analysis.py

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Examples/Modules/qed/breit_wheeler/analysis.py

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* add do_plot option to some analysis scripts

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* uncomment a line

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* simplified input scripts for BW tests

* simplified input scripts for QS tests

* removed unwanted files

* simplified analysis script

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* reverted modification to schwinger analysis script

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* remove outdated comment

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Source/Particles/MultiParticleContainer.cpp

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* fix warnings

* made test more robust

* reset benchmark for qed_breit_wheeler_2d

* fixed bug in test

* make test more robust

* made test more robust

* Update Examples/Modules/qed/quantum_synchrotron/analysis.py

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update Examples/Modules/qed/quantum_synchrotron/analysis.py

Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>

* Update run_test.sh

Co-authored-by: Axel Huebl <axel.huebl@plasma.ninja>

Co-authored-by: Tools <warpx@lbl.gov>
Co-authored-by: NeilZaim <49716072+NeilZaim@users.noreply.github.com>
Co-authored-by: Axel Huebl <axel.huebl@plasma.ninja>

1 files changed, 12 insertions, 16 deletions

diff --git a/Source/Particles/PhysicalParticleContainer.cpp b/Source/Particles/PhysicalParticleContainer.cpp
index 36a2ea292..b71ff2920 100644
--- a/Source/Particles/PhysicalParticleContainer.cpp
+++ b/Source/Particles/PhysicalParticleContainer.cpp
@@ -717,8 +717,8 @@ PhysicalParticleContainer::AddPlasma (int lev, RealBox part_realbox)
 
 #ifdef WARPX_QED
         //Pointer to the optical depth component
-        amrex::Real* p_optical_depth_QSR;
-        amrex::Real* p_optical_depth_BW;
+        amrex::Real* p_optical_depth_QSR = nullptr;
+        amrex::Real* p_optical_depth_BW  = nullptr;
 
         // If a QED effect is enabled, the corresponding optical depth
         // has to be initialized
@@ -1853,7 +1853,7 @@ PhysicalParticleContainer::PushPX (WarpXParIter& pti,
 #ifdef WARPX_QED
     const auto do_sync = m_do_qed_quantum_sync;
     amrex::Real t_chi_max = 0.0;
-    if (do_sync) t_chi_max = m_shr_p_qs_engine->get_ref_ctrl().chi_part_min;
+    if (do_sync) t_chi_max = m_shr_p_qs_engine->get_minimum_chi_part();
 
     QuantumSynchrotronEvolveOpticalDepth evolve_opt;
     amrex::ParticleReal* AMREX_RESTRICT p_optical_depth_QSR = nullptr;
@@ -1889,19 +1889,6 @@ PhysicalParticleContainer::PushPX (WarpXParIter& pti,
 
         scaleFields(xp, yp, zp, Exp, Eyp, Ezp, Bxp, Byp, Bzp);
 
-#ifdef WARPX_QED
-    if (local_has_quantum_sync) {
-        const ParticleReal px = m * ux[ip];
-        const ParticleReal py = m * uy[ip];
-        const ParticleReal pz = m * uz[ip];
-
-        bool has_event_happened = evolve_opt(px, py, pz,
-                                             Exp, Eyp, Ezp,
-                                             Bxp, Byp, Bzp,
-                                             dt, p_optical_depth_QSR[ip]);
-    }
-#endif
-
         doParticlePush(getPosition, setPosition, copyAttribs, ip,
                        ux[ip+offset], uy[ip+offset], uz[ip+offset],
                        Exp, Eyp, Ezp, Bxp, Byp, Bzp,
@@ -1912,6 +1899,15 @@ PhysicalParticleContainer::PushPX (WarpXParIter& pti,
                        t_chi_max,
 #endif
                        dt);
+
+#ifdef WARPX_QED
+    if (local_has_quantum_sync) {
+        evolve_opt(ux[ip], uy[ip], uz[ip],
+                   Exp, Eyp, Ezp,Bxp, Byp, Bzp,
+                   dt, p_optical_depth_QSR[ip]);
+    }
+#endif
+
     });
 }