move CNO_He_burn and clean-up (#1710)

this is now under he-burn and uses the he_burn_core.py script

networks/CNO_He_burn

@@ -0,0 +1 @@
+he-burn/cno-he-burn-33a

networks/he-burn/cno-he-burn-33a/_parameters

@@ -0,0 +1,2 @@
+@namespace: network
+

networks/CNO_He_burn/actual_rhs.H → networks/he-burn/cno-he-burn-33a/actual_rhs.H

@@ -71,28 +71,6 @@ void evaluate_rates(const burn_t& state, T& rate_eval) {
 
     fill_reaclib_rates<do_T_derivatives, T>(tfactors, rate_eval);
 
-    if (disable_p_C12_to_N13) {
-        rate_eval.screened_rates(k_p_C12_to_N13) = 0.0;
-        if constexpr (std::is_same_v<T, rate_derivs_t>) {
-            rate_eval.dscreened_rates_dT(k_p_C12_to_N13) = 0.0;
-        }
-        rate_eval.screened_rates(k_N13_to_p_C12) = 0.0;
-        if constexpr (std::is_same_v<T, rate_derivs_t>) {
-            rate_eval.dscreened_rates_dT(k_N13_to_p_C12) = 0.0;
-        }
-    }
-
-    if (disable_He4_N13_to_p_O16) {
-        rate_eval.screened_rates(k_He4_N13_to_p_O16) = 0.0;
-        if constexpr (std::is_same_v<T, rate_derivs_t>) {
-            rate_eval.dscreened_rates_dT(k_He4_N13_to_p_O16) = 0.0;
-        }
-        rate_eval.screened_rates(k_p_O16_to_He4_N13) = 0.0;
-        if constexpr (std::is_same_v<T, rate_derivs_t>) {
-            rate_eval.dscreened_rates_dT(k_p_O16_to_He4_N13) = 0.0;
-        }
-    }
-
 
 
     // Evaluate screening factors
@@ -1584,7 +1562,7 @@ void evaluate_rates(const burn_t& state, T& rate_eval) {
 
     // Fill approximate rates
 
-    fill_approx_rates<do_T_derivatives, T>(tfactors, rate_eval);
+    fill_approx_rates<do_T_derivatives, T>(tfactors, state.rho, Y, rate_eval);
 
     // Calculate tabular rates
 

networks/he-burn/cno-he-burn-33a/cno_he_burn_33a.py

@@ -0,0 +1,52 @@
+# a blend of CNO_extras and subch_simple
+
+import pynucastro as pyna
+from pynucastro.networks import AmrexAstroCxxNetwork
+
+import he_burn_core
+
+
+DO_DERIVED_RATES = False
+
+
+def doit():
+
+    extra_reactants = ["c13", "n15",
+                       "o14", "o15", "o17", "o18",
+                       "f17", "f19",
+                       "ne18", "ne19",
+                       "na22", "na23",
+                       "mg22"]
+
+    subch = he_burn_core.get_core_library(include_n14_sequence=True,
+                                          include_zn=False,
+                                          extra_nuclei=extra_reactants,
+                                          do_detailed_balance=DO_DERIVED_RATES)
+
+    net = AmrexAstroCxxNetwork(libraries=[subch], symmetric_screening=True)
+
+    net.make_ap_pg_approx(intermediate_nuclei=["cl35", "k39", "sc43", "v47", "mn51", "co55"])
+    net.remove_nuclei(["cl35", "k39", "sc43", "v47", "mn51", "co55"])
+
+    print(f"number of nuclei: {len(net.unique_nuclei)}")
+    print(f"number of rates: {len(net.rates)}")
+
+    comp = pyna.Composition(net.get_nuclei())
+    comp.set_all(0.1)
+    comp.set_nuc("he4", 0.95)
+    comp.normalize()
+
+    rho = 1.e6
+    T = 1.e9
+
+    net.plot(rho, T, comp, outfile="cno-he-burn-33a.png",
+             rotated=True, hide_xalpha=True, curved_edges=True,
+             size=(1500, 450),
+             node_size=500, node_font_size=11, node_color="#337dff", node_shape="s",
+             Z_range=(1, 29))
+
+    net.write_network()
+
+
+if __name__ == "__main__":
+    doit()

networks/he-burn/cno-he-burn-33a/he_burn_core.py

@@ -0,0 +1 @@
+../he_burn_core.py

networks/CNO_He_burn/reaclib_rates.H → networks/he-burn/cno-he-burn-33a/reaclib_rates.H

@@ -8342,7 +8342,10 @@ fill_reaclib_rates(const tf_t& tfactors, T& rate_eval)
 template <int do_T_derivatives, typename T>
 AMREX_GPU_HOST_DEVICE AMREX_INLINE
 void
-fill_approx_rates([[maybe_unused]] const tf_t& tfactors, [[maybe_unused]] T& rate_eval)
+fill_approx_rates([[maybe_unused]] const tf_t& tfactors,
+                  [[maybe_unused]] const amrex::Real rho,
+                  [[maybe_unused]] const amrex::Array1D<amrex::Real, 1, NumSpec>& Y,
+                  [[maybe_unused]] T& rate_eval)
 {
 
     [[maybe_unused]] amrex::Real rate{};

networks/he-burn/he_burn_core.py

@@ -9,10 +9,14 @@ def get_core_library(*,
                      include_zn=False,
                      include_iron_peak=False,
                      include_low_ye=False,
-                     do_detailed_balance=False):
+                     do_detailed_balance=False,
+                     extra_nuclei=None):
 
     reaclib_lib = pyna.ReacLibLibrary()
 
+    if extra_nuclei is None:
+        extra_nuclei = []
+
     nuclei = ["p",
               "he4", "c12", "n13", "o16",
               "ne20", "na23", "mg24", "si28", "s32",
@@ -21,6 +25,8 @@ def get_core_library(*,
               "al27", "p31", "cl35", "k39", "sc43", "v47",
               "mn51", "co55"]
 
+    nuclei += extra_nuclei
+
     if include_n14_sequence:
         nuclei += ["n14", "f18", "ne21", "na22"]