Merge branch 'development' into network_docs

screening/_parameters

@@ -1,3 +1,5 @@
 @namespace: screening
 
 enable_chabrier1998_quantum_corr        bool      0
+enable_debye_huckel_skip                bool      0
+debye_huckel_skip_threshold             real      1.01e0

screening/screen.H

@@ -7,6 +7,7 @@
 #define SCREEN_METHOD_chugunov2007 2
 #define SCREEN_METHOD_chugunov2009 3
 #define SCREEN_METHOD_chabrier1998 4
+#define SCREEN_METHOD_debye_huckel 5
 
 #include <cmath>
 #include <iostream>
@@ -152,6 +153,33 @@ fill_plasma_state(plasma_state_t<number_t>& state, const number_t& temp,
     state.gamma_e_fac = gamma_e_constants * std::cbrt(state.n_e);
 }
 
+template <typename number_t>
+AMREX_GPU_HOST_DEVICE AMREX_INLINE
+number_t debye_huckel (const plasma_state_t<number_t>& state,
+                       const scrn::screen_factors_t& scn_fac)
+{
+    // Calculates the Debye-Huckel enhancement factor for weak Coloumb coupling,
+    // as listed in the Appendix of Chugunov and DeWitt 2009, PhRvC, 80, 014611
+
+    // input:
+    // state   = plasma state (T, rho, abar, zbar, etc.)
+    // scn_fac = screening factors for A and Z
+
+    amrex::Real z1z2 = scn_fac.z1 * scn_fac.z2;
+    amrex::Real z_ratio = state.z2bar / state.zbar;
+
+    // Gamma_e from eq. 6
+    number_t Gamma_e = state.gamma_e_fac / state.temp;
+
+    // eq. A1
+    number_t h_DH = z1z2 * admath::sqrt(3 * amrex::Math::powi<3>(Gamma_e) * z_ratio);
+
+    // machine limit the output
+    constexpr amrex::Real h_max = 300.e0_rt;
+    number_t h = admath::min(h_DH, h_max);
+    return admath::exp(h);
+}
+
 #if SCREEN_METHOD == SCREEN_METHOD_screen5
 template <typename number_t>
 AMREX_GPU_HOST_DEVICE AMREX_INLINE
@@ -620,11 +648,20 @@ AMREX_GPU_HOST_DEVICE AMREX_FORCE_INLINE
 number_t actual_screen(const plasma_state_t<number_t>& state,
                      const scrn::screen_factors_t& scn_fac)
 {
-    number_t scor;
+    number_t scor = 1.0_rt;
 #if SCREEN_METHOD == SCREEN_METHOD_null
     // null screening
     amrex::ignore_unused(state, scn_fac);
-    scor = 1.0_rt;
+    return scor;
+#endif
+    if (screening_rp::enable_debye_huckel_skip) {
+        scor = debye_huckel(state, scn_fac);
+        if (scor <= screening_rp::debye_huckel_skip_threshold) {
+            return scor;
+        }
+    }
+#if SCREEN_METHOD == SCREEN_METHOD_debye_huckel
+    scor = debye_huckel(state, scn_fac);
 #elif SCREEN_METHOD == SCREEN_METHOD_screen5
     scor = actual_screen5(state, scn_fac);
 #elif SCREEN_METHOD == SCREEN_METHOD_chugunov2007

unit_test/test_react/README.md

@@ -3,40 +3,3 @@
 This is a unit test that sets up a cube of data (rho, T, and X varying
 along dimensions) and calls the burner on it.  You can specify the integrator
 via `INTEGRATOR_DIR` and the network via `NETWORK_DIR` in the `GNUmakefile`
-
-## CPU Status
-
-This table summarizes tests run with gfortran.
-
-
-| network                | VODE                    | VODE90                  | BS                      | Rosenbrock    |
-|------------------------|-------------------------|-------------------------|-------------------------|---------------|
-| aprox13                | works<br>(6:1517:2393)  | works<br>(6:1517:23793) | works<br>(126:858:4678) | crashes       |
-| aprox19                | works<br>(27:152:8127)  | works<br>(27:152:8127)  | works<br>(72:297:2869)  | runs too long |
-| triple_alpha_plus_cago | works<br>(6:32:1950)    | works<br>(6:32:1950)    | works<br>(126:148:3044) | crashes       |
-| ignition_chamulak      | works<br>(6:6:28)       | works<br>(6:6:28)       | works<br>(144:144:153)  | works (252:252:252) |
-
-
-## Running on GPUs with VODE
-
-To run a GPU test with the VODE integrator and aprox13, do:
-
-```
-make -j COMP=PGI USE_CUDA=TRUE AMREX_USE_CUDA=TRUE USE_GPU_PRAGMA=TRUE NETWORK_DIR=aprox13 EOS_DIR=helmholtz
-```
-
-Tested with PGI 18.10 and CUDA 9.2.148.
-
-To run in a different directory, the following files are necessary to
-run in addition to the executable:
-
-- `helm_table.dat` (will be symlinked in at compile time)
-- `inputs_aprox13`
-- `probin.aprox13`
-- `xin.aprox13`
-
-Then in an interactive session, (e.g. on Summit), do:
-
-```
-jsrun -n 1 -a 1 -g 1 ./[executable] inputs_aprox13
-```