Initial CR model coupling

.github/workflows/regression_test.yaml

@@ -24,7 +24,7 @@ jobs:
     - name: Install dependencies
       run: |
         python -m pip install --upgrade pip
-        pip install numpy scipy matplotlib h5py
+        pip install numpy scipy matplotlib h5py pandas
     - name: Run Liu case test
       run: ./testRunBase.sh
     - name: Run constant background CN test
@@ -35,3 +35,5 @@ jobs:
       run: ./testRunBackground.sh
     - name: Run six species test
       run: ./test6Species.sh
+    - name: Run CR model test
+      run: ./testCRModel.sh

BOLSIGChemistry_NominalRates/EinsteinForm.py

@@ -0,0 +1,64 @@
+import numpy as np
+from matplotlib import pyplot as plt
+import h5py as h5
+
+kB = 1.38e-23
+q = 1.602e-19
+
+## Electron Transport Data
+transport = h5.File("./nominal_transport.h5", 'r')
+NDe_v_Te = transport["diffusivity"]
+Te_trans = NDe_v_Te[:,0]
+Te_trans /= 11604
+De_interp = (NDe_v_Te[:,1]/3.22e22)
+#De_spline = CubicSpline(Te_trans, De_interp)
+#De_Te_spline = CubicSpline.derivative(De_spline)
+
+Nmue_v_Te = transport["mobility"]
+mue_interp = (Nmue_v_Te[:,1]/3.22e22)
+#mue_spline = CubicSpline(Te_trans, mue_interp)
+#mue_Te_spline = CubicSpline.derivative(mue_spline)
+
+De_Eins = np.multiply(mue_interp,Te_trans)
+
+
+## Electron Transport Data 2
+# transport_2 = h5.File("../BOLSIGChemistry_Transport/nominal_transport_2.h5", 'r')
+# NDe_v_Te_2 = transport["diffusivity"]
+# Te_trans_2 = NDe_v_Te_2[:,0]
+# Te_trans_2 /= 11604
+# De_interp_2 = (NDe_v_Te_2[:,1]/3.22e22)
+# Nmue_v_Te_2 = transport["mobility"]
+# mue_interp_2 = (Nmue_v_Te_2[:,1]/3.22e22)
+# De_Eins_2 = np.multiply(mue_interp_2,Te_trans_2)
+
+
+#diffInterp = np.zeros(10000)
+#mobInterp = np.zeros(10000)
+#TePlot = np.linspace(Te_trans[0], Te_trans[-1], diffInterp.shape[0])
+#for i in range(len(diffInterp)):
+#    diffInterp[i] = De_spline(TePlot[i])
+#    mobInterp[i] = mue_spline(TePlot[i])
+
+fig,ax = plt.subplots()
+ax.set_title('Diffusion Coefficient')
+ax.set_xlabel('Te [eV]')
+ax.set_ylabel('D [m2/s]')
+ax.plot(Te_trans, De_interp, marker = 'o', label = 'Bolsig Data')
+ax.plot(Te_trans, De_Eins, label = 'Einstein Relation')
+# ax.plot(Te_trans_2, De_interp_2, marker = '.', label = 'Bolsig Data')
+# ax.plot(Te_trans_2, De_Eins_2, label = 'Einstein Relation')
+ax.legend()
+# plt.savefig('EinsteinRelation.png')
+
+# fig, ax = plt.subplots()
+# ax.set_title('Mobility Coefficient')
+# ax.set_xlabel('Te [eV]')
+# ax.plot(Te_trans, mue_interp, marker = 'o', label = 'Raw Data')
+# # ax.plot(Te_trans_2, mue_interp_2, marker = '.', label = 'Raw Data')
+# # ax.plot(TePlot, mobInterp, label = 'Interpolant')
+# ax.legend()
+
+
+plt.show()
+

BOLSIGChemistry_NominalRates/FullModel_1Torr/input.300K.bolsig.dat

@@ -0,0 +1,48 @@
+/NOSCREEN
+
+READCOLLISIONS
+"glow-discharge/nominal-crs/fullCrs.txt"
+Ar Ar5 Ar4 Ar3 Ar2 Ar(2p10) Ar(2p9) Ar(2p8) Ar(2p7) Ar(2p6) Ar(2p5) Ar(2p4) Ar(2p3) Ar(2p2) Ar(2p1)
+1
+
+CONDITIONS
+0.0
+0.0
+0.0
+300
+300
+0.0
+6.213503594170994e-08
+2000000000000000.0
+1.0
+1.0
+1
+1
+2
+0.0
+200
+0
+200.0
+1e-10
+0.0001
+10000
+9.99998E-01 1.24270E-06 6.21350E-10 9.32026E-07 3.10675E-10 6.21350E-11 6.21350E-11 6.21350E-11 4.66013E-11 4.66013E-11 3.10675E-11 3.10675E-11 3.10675E-11 3.10675E-11 3.10675E-11
+1
+
+RUNSERIES
+2
+0.200000  50.000000
+200
+3
+
+SAVERESULTS
+"glow-discharge/nominal-rxn/6species/FullModel/output.300K.bolsig.txt"
+3
+1
+1
+1
+0
+0
+0
+1
+