Add QED particle creaction routines (#698)

* Initial work to add back QED particle generation

* Work in progress: port old QED routines

* Add two distinct CopyFuncs

* modified getMFItInfo and CopyFunc (not working)

* bugfixing & work to add back QED particle creation routines

* bugfixing

* added back quantum photon emission

* bugfixing

* bugfixing

* added back pair generation (still some bugs in photon emission)

* removed unwanted check

* bugfixing

* bugfixing

* bugfixing

* Moved QED folder

* added comments + some refactoring

* added comments

* remove some virtual functions to make lgtm happy

* updated tests

* added PhysicalParticleType

* bugfixing

* added copyright

* improved comments

* improved comments

* Update Source/Particles/ElementaryProcess/QEDPairGeneration.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/ElementaryProcess/QEDPairGeneration.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/ElementaryProcess/QEDPairGeneration.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/ElementaryProcess/QEDPairGeneration.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/ElementaryProcess/QEDPairGeneration.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/ElementaryProcess/QEDPairGeneration.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/ElementaryProcess/QEDPairGeneration.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/ElementaryProcess/QEDPairGeneration.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/ElementaryProcess/QEDPairGeneration.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* moved inclusion of QEDInternals folder

* moved some inclusion directives between Make files

* moved some inclusion directives between Make files (forgot to add a file)

* Update Source/Particles/PhysicalParticleContainer.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/PhysicalParticleContainer.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/PhysicalParticleContainer.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/PhysicalParticleContainer.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/PhysicalParticleContainer.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/MultiParticleContainer.cpp

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/ElementaryProcess/QEDPhotonEmission.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/ElementaryProcess/QEDPhotonEmission.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/ElementaryProcess/QEDPhotonEmission.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/ElementaryProcess/QEDPhotonEmission.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/ElementaryProcess/QEDPhotonEmission.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/MultiParticleContainer.cpp

Co-Authored-By: MaxThevenet <mthevenet@lbl.gov>

* Update Source/Particles/MultiParticleContainer.cpp

Co-Authored-By: MaxThevenet <mthevenet@lbl.gov>

* Update Source/Particles/ElementaryProcess/QEDPhotonEmission.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/ElementaryProcess/QEDPhotonEmission.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* Update Source/Particles/MultiParticleContainer.cpp

Co-Authored-By: MaxThevenet <mthevenet@lbl.gov>

* Update Source/Particles/MultiParticleContainer.cpp

Co-Authored-By: MaxThevenet <mthevenet@lbl.gov>

* Update Source/Particles/MultiParticleContainer.cpp

Co-Authored-By: MaxThevenet <mthevenet@lbl.gov>

* Update Source/Particles/MultiParticleContainer.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* corrected alignment

* Update Source/Particles/ElementaryProcess/QEDPairGeneration.H

Co-Authored-By: Axel Huebl <axel.huebl@plasma.ninja>

* removed some unnecessary amrex::

* add missing comment

* Replaced BL_PROFILE with WARPX_PROFILE

* bugfixing and making some variables const

* removed some moves

* removed some moves

* started to change tau into optical_depth_BW or optical_depth_QSR

* Using initialization policy to initialize optical depth

* bugfixing

* forgot to add a file

* fixed bug

* Revert "fixed bug"

This reverts commit a3fb98d10cc30327635aeaa71451a05ca2229ff4.

* Update Source/Particles/ElementaryProcess/QEDPairGeneration.H

Co-Authored-By: MaxThevenet <mthevenet@lbl.gov>

* Update Source/Particles/MultiParticleContainer.cpp

Co-Authored-By: MaxThevenet <mthevenet@lbl.gov>

* Added doQEDEvents to OneStep_sub1

* add a bunch of const

* add _rt suffix

* Update Source/Particles/MultiParticleContainer.cpp

Co-Authored-By: MaxThevenet <mthevenet@lbl.gov>

* added path to included files

* Introduced a templated AmIA<something> function using physical_species

* Update Source/Particles/ElementaryProcess/QEDPhotonEmission.H

Co-Authored-By: MaxThevenet <mthevenet@lbl.gov>

* Update Source/Particles/ElementaryProcess/QEDPhotonEmission.H

Co-Authored-By: MaxThevenet <mthevenet@lbl.gov>

* Update Source/Particles/ElementaryProcess/QEDPhotonEmission.H

Co-Authored-By: MaxThevenet <mthevenet@lbl.gov>

* added paths to included headers

* updated documentation

* updated examples

* bugfixing

* bugfixing

* fixing examples

* fixed example

* fixed example

* correct a misprint in error message

* fixed issue related to 1./mass for photons

* Update Source/Particles/MultiParticleContainer.cpp

Co-Authored-By: MaxThevenet <mthevenet@lbl.gov>

* Update Source/Particles/MultiParticleContainer.cpp

Co-Authored-By: MaxThevenet <mthevenet@lbl.gov>

* Update Source/Particles/MultiParticleContainer.cpp

Co-Authored-By: MaxThevenet <mthevenet@lbl.gov>

* Update Source/Particles/ElementaryProcess/QEDPhotonEmission.H

Co-Authored-By: MaxThevenet <mthevenet@lbl.gov>

* make the use of energy_threshold more transparent

* remove unnecessary checks

* bigfixing

* added comment

* separate checks for QED processes

* added a CheckIonizationProductSpecies for consistency

* bugfixing

* now using a new variable for photon energy creation threshold

* removed unwanted comment

* added option to set a user-defined threshold for photon creation

* bugfixing

* updated documentation

* updated example to include new option

* updated doc

* fixed merge conflict

* correct bug in example

* reorganized function

Co-authored-by: Axel Huebl <axel.huebl@plasma.ninja>
Co-authored-by: MaxThevenet <mthevenet@lbl.gov>

1 files changed, 223 insertions, 0 deletions

diff --git a/Source/Particles/ElementaryProcess/QEDInternals/BreitWheelerEngineWrapper.cpp b/Source/Particles/ElementaryProcess/QEDInternals/BreitWheelerEngineWrapper.cpp
new file mode 100644
index 000000000..e1eb55714
--- /dev/null
+++ b/Source/Particles/ElementaryProcess/QEDInternals/BreitWheelerEngineWrapper.cpp
@@ -0,0 +1,223 @@
+/* Copyright 2019 Luca Fedeli, Maxence Thevenet
+ *
+ * This file is part of WarpX.
+ *
+ * License: BSD-3-Clause-LBNL
+ */
+#include "BreitWheelerEngineWrapper.H"
+
+#include "QedTableParserHelperFunctions.H"
+#include "BreitWheelerDummyTable.H"
+
+#include <utility>
+
+using namespace std;
+using namespace QedUtils;
+using namespace amrex;
+
+//This file provides a wrapper aroud the breit_wheeler engine
+//provided by the PICSAR library
+
+// Factory class =============================
+
+BreitWheelerEngine::BreitWheelerEngine (){}
+
+BreitWheelerGetOpticalDepth
+BreitWheelerEngine::build_optical_depth_functor ()
+{
+    return BreitWheelerGetOpticalDepth();
+}
+
+BreitWheelerEvolveOpticalDepth
+BreitWheelerEngine::build_evolve_functor ()
+{
+    AMREX_ALWAYS_ASSERT(m_lookup_tables_initialized);
+
+    return BreitWheelerEvolveOpticalDepth(m_innards);
+}
+
+BreitWheelerGeneratePairs
+BreitWheelerEngine::build_pair_functor ()
+{
+    AMREX_ALWAYS_ASSERT(m_lookup_tables_initialized);
+
+    return BreitWheelerGeneratePairs(m_innards);
+}
+
+bool BreitWheelerEngine::are_lookup_tables_initialized () const
+{
+    return m_lookup_tables_initialized;
+}
+
+bool
+BreitWheelerEngine::init_lookup_tables_from_raw_data (
+    const Vector<char>& raw_data)
+{
+    const char* p_data = raw_data.data();
+    const char* const p_last = &raw_data.back();
+    bool is_ok;
+
+    //Header (control parameters)
+    tie(is_ok, m_innards.ctrl.chi_phot_min, p_data) =
+        parse_raw_data<decltype(m_innards.ctrl.chi_phot_min)>(
+            p_data, p_last);
+    if(!is_ok) return false;
+
+    tie(is_ok, m_innards.ctrl.chi_phot_tdndt_min, p_data) =
+        parse_raw_data<decltype(m_innards.ctrl.chi_phot_tdndt_min)>(
+            p_data, p_last);
+    if(!is_ok) return false;
+
+    tie(is_ok, m_innards.ctrl.chi_phot_tdndt_max, p_data) =
+        parse_raw_data<decltype(m_innards.ctrl.chi_phot_tdndt_max)>(
+            p_data, p_last);
+    if(!is_ok) return false;
+
+    tie(is_ok, m_innards.ctrl.chi_phot_tdndt_how_many, p_data) =
+        parse_raw_data<decltype(m_innards.ctrl.chi_phot_tdndt_how_many)>(
+            p_data, p_last);
+    if(!is_ok) return false;
+
+    tie(is_ok, m_innards.ctrl.chi_phot_tpair_min, p_data) =
+        parse_raw_data<decltype(m_innards.ctrl.chi_phot_tpair_min)>(
+            p_data, p_last);
+    if(!is_ok) return false;
+
+    tie(is_ok, m_innards.ctrl.chi_phot_tpair_max, p_data) =
+        parse_raw_data<decltype(m_innards.ctrl.chi_phot_tpair_max)>(
+            p_data, p_last);
+    if(!is_ok) return false;
+
+    tie(is_ok, m_innards.ctrl.chi_phot_tpair_how_many, p_data) =
+        parse_raw_data<decltype(m_innards.ctrl.chi_phot_tpair_how_many)>(
+            p_data, p_last);
+    if(!is_ok) return false;
+
+    tie(is_ok, m_innards.ctrl.chi_frac_tpair_how_many, p_data) =
+        parse_raw_data<decltype(m_innards.ctrl.chi_frac_tpair_how_many)>(
+            p_data, p_last);
+    if(!is_ok) return false;
+
+    //___________________________
+
+    //Data
+    Vector<Real> tndt_coords(m_innards.ctrl.chi_phot_tdndt_how_many);
+    Vector<Real> tndt_data(m_innards.ctrl.chi_phot_tdndt_how_many);
+    Vector<Real> cum_tab_coords1(m_innards.ctrl.chi_phot_tpair_how_many);
+    Vector<Real> cum_tab_coords2(m_innards.ctrl.chi_frac_tpair_how_many);
+    Vector<Real> cum_tab_data(m_innards.ctrl.chi_phot_tpair_how_many*
+        m_innards.ctrl.chi_frac_tpair_how_many);
+
+    tie(is_ok, tndt_coords, p_data) =
+        parse_raw_data_vec<Real>(
+            p_data, tndt_coords.size(), p_last);
+    if(!is_ok) return false;
+    m_innards.TTfunc_coords.assign(tndt_coords.begin(), tndt_coords.end());
+
+    tie(is_ok, tndt_data, p_data) =
+        parse_raw_data_vec<Real>(
+            p_data, tndt_data.size(), p_last);
+    if(!is_ok) return false;
+    m_innards.TTfunc_data.assign(tndt_data.begin(), tndt_data.end());
+
+    tie(is_ok, cum_tab_coords1, p_data) =
+        parse_raw_data_vec<Real>(
+            p_data, cum_tab_coords1.size(), p_last);
+    if(!is_ok) return false;
+    m_innards.cum_distrib_coords_1.assign(
+        cum_tab_coords1.begin(), cum_tab_coords1.end());
+
+    tie(is_ok, cum_tab_coords2, p_data) =
+        parse_raw_data_vec<Real>(
+            p_data, cum_tab_coords2.size(), p_last);
+    if(!is_ok) return false;
+    m_innards.cum_distrib_coords_2.assign(
+        cum_tab_coords2.begin(), cum_tab_coords2.end());
+
+    tie(is_ok, cum_tab_data, p_data) =
+        parse_raw_data_vec<Real>(
+            p_data, cum_tab_data.size(), p_last);
+    if(!is_ok) return false;
+    m_innards.cum_distrib_data.assign(
+        cum_tab_data.begin(), cum_tab_data.end());
+
+    //___________________________
+    m_lookup_tables_initialized = true;
+
+    return true;
+}
+
+void BreitWheelerEngine::init_dummy_tables()
+{
+    m_innards.ctrl = QedUtils::BreitWheelerEngineInnardsDummy.ctrl;
+    m_innards.TTfunc_coords.assign(
+        QedUtils::BreitWheelerEngineInnardsDummy.TTfunc_coords.begin(),
+        QedUtils::BreitWheelerEngineInnardsDummy.TTfunc_coords.end());
+    m_innards.TTfunc_data.assign(
+        QedUtils::BreitWheelerEngineInnardsDummy.TTfunc_data.begin(),
+        QedUtils::BreitWheelerEngineInnardsDummy.TTfunc_data.end());
+    m_innards.cum_distrib_coords_1.assign(
+        QedUtils::BreitWheelerEngineInnardsDummy.cum_distrib_coords_1.begin(),
+        QedUtils::BreitWheelerEngineInnardsDummy.cum_distrib_coords_1.end());
+    m_innards.cum_distrib_coords_2.assign(
+        QedUtils::BreitWheelerEngineInnardsDummy.cum_distrib_coords_2.begin(),
+        QedUtils::BreitWheelerEngineInnardsDummy.cum_distrib_coords_2.end());
+    m_innards.cum_distrib_data.assign(
+        QedUtils::BreitWheelerEngineInnardsDummy.cum_distrib_data.begin(),
+        QedUtils::BreitWheelerEngineInnardsDummy.cum_distrib_data.end());
+
+    m_lookup_tables_initialized = true;
+}
+
+Vector<char> BreitWheelerEngine::export_lookup_tables_data () const
+{
+   Vector<char> res{};
+
+    if(!m_lookup_tables_initialized)
+        return res;
+
+    add_data_to_vector_char(&m_innards.ctrl.chi_phot_min, 1, res);
+    add_data_to_vector_char(&m_innards.ctrl.chi_phot_tdndt_min, 1, res);
+    add_data_to_vector_char(&m_innards.ctrl.chi_phot_tdndt_max, 1, res);
+    add_data_to_vector_char(&m_innards.ctrl.chi_phot_tdndt_how_many, 1, res);
+    add_data_to_vector_char(&m_innards.ctrl.chi_phot_tpair_min, 1, res);
+    add_data_to_vector_char(&m_innards.ctrl.chi_phot_tpair_max, 1, res);
+    add_data_to_vector_char(&m_innards.ctrl.chi_phot_tpair_how_many, 1, res);
+    add_data_to_vector_char(&m_innards.ctrl.chi_frac_tpair_how_many, 1, res);
+
+    add_data_to_vector_char(m_innards.TTfunc_coords.data(),
+        m_innards.TTfunc_coords.size(), res);
+    add_data_to_vector_char(m_innards.TTfunc_data.data(),
+        m_innards.TTfunc_data.size(), res);
+    add_data_to_vector_char(m_innards.cum_distrib_coords_1.data(),
+        m_innards.cum_distrib_coords_1.size(), res);
+    add_data_to_vector_char(m_innards.cum_distrib_coords_2.data(),
+        m_innards.cum_distrib_coords_2.size(), res);
+    add_data_to_vector_char(m_innards.cum_distrib_data.data(),
+        m_innards.cum_distrib_data.size(), res);
+
+    return res;
+}
+
+PicsarBreitWheelerCtrl
+BreitWheelerEngine::get_default_ctrl() const
+{
+    return PicsarBreitWheelerCtrl();
+}
+
+const PicsarBreitWheelerCtrl&
+BreitWheelerEngine::get_ref_ctrl() const
+{
+    return m_innards.ctrl;
+}
+
+void BreitWheelerEngine::compute_lookup_tables (
+    PicsarBreitWheelerCtrl ctrl)
+{
+#ifdef WARPX_QED_TABLE_GEN
+    m_table_builder.compute_table(ctrl, m_innards);
+    m_lookup_tables_initialized = true;
+#endif
+}
+
+//============================================