Add parallel test of two-layered SPHERE

.gitlab-ci.yml

@@ -264,10 +264,10 @@ running_stage:
       - mv c_TEDF c_TEDF_dev
       - mv c_TEDF.hd5 c_TEDF_dev.hd5
       - echo "Testing parallel execution of SPHERE"
-      - ../../src/scripts/model_maker.py ../../test_data/sphere/config_181_xi.yml
+      - ../../src/scripts/model_maker.py ../../test_data/sphere/config_two_layers.yml
       - echo "Running parallel np_sphere"
-      - OMP_NUM_THREADS=2 ./np_sphere DEDFB_181_xi DSPH_181_xi .
-      - mv c_OSPH c_OSPH_181_xi
+      - OMP_NUM_THREADS=2 ./np_sphere DEDFB_two_layers DSPH_two_layers .
+      - mv c_OSPH c_OSPH_two_layers
       - cd ../cluster
       - echo "Testing configurator for CLUSTER"
       - ../../src/scripts/model_maker.py ../../test_data/cluster/config_dev.yml
@@ -313,8 +313,8 @@ testing_stage:
       - export FFILE=../../test_data/sphere/OSPH
       - python3 ../../src/scripts/pycompare.py --no-progress --ffile $FFILE --cfile c_OSPH_dev --html
       - echo "Comparing output of parallel SPHERE"
-      - export FFILE=../../test_data/sphere/OSPH_181_xi
-      - python3 ../../src/scripts/pycompare.py --no-progress --ffile $FFILE --cfile c_OSPH_181_xi --html
+      - export FFILE=../../test_data/sphere/OSPH_two_layers
+      - python3 ../../src/scripts/pycompare.py --no-progress --ffile $FFILE --cfile c_OSPH_two_layers --html
       - echo "Checking consistency among legacy and HDF5 configuration files"
       - ../testing/test_TEDF ../../test_data/sphere/DEDFB c_TEDF_dev c_TEDF_dev.hd5
       - cd ../inclusion

test_data/sphere/config_181_xi.yml → test_data/sphere/config_two_layers.yml

@@ -8,9 +8,9 @@ input_settings:
   # Folder to write the code input configuration files
   input_folder : "."
   # Name of the scatterer description file
-  spheres_file : "DEDFB_181_xi"
+  spheres_file : "DEDFB_two_layers"
   # Name of the geometry description file
-  geometry_file: "DSPH_181_xi"
+  geometry_file: "DSPH_two_layers"
   
 output_settings:
   # Folder for the code output storage
@@ -32,11 +32,11 @@ particle_settings:
   # Vector of sphere type identifiers (what type is each sphere)
   sph_types   : [ 1 ]
   # Vector of layers in types (how many layers in each type)
-  n_layers    : [ 2 ]
+  n_layers    : [ 3 ]
   # Spherical monomer radii in m (one size for each type)
-  radii       : [ 9.085603e-8 ]
+  radii       : [ 1.31281e-07 ]
   # Layer fractional radii (one per layer in each type)
-  rad_frac    : [ [ 0.5, 1.0 ] ]
+  rad_frac    : [ [ 6.58641e-01, 6.58642e-01, 1.0 ] ]
   # Index of the dielectric constants (one per layer in each type)
   #
   # 1 is first file in `dielec_file`, 2 is second ...
@@ -45,9 +45,9 @@ particle_settings:
 material_settings:
   diel_flag   : 0
   # External medium dielectric constant
-  extern_diel : 1.00e+00
+  extern_diel : 1.000e+00
   # Dielectric constant files folder
-  dielec_path : "../../ref_data"
+  dielec_path : "."
   # List of dielectric constant files (used if diel_flag = 0)
   dielec_file : [ "eps_draine_Si.csv", "eps_ashok_C.csv"]
   # Dielectric constant files format (same for all files)
@@ -67,15 +67,15 @@ radiation_settings:
   # Radiation field polarization (LINEAR | CIRCULAR)
   polarization: "LINEAR"
   # First scale to be used
-  scale_start : 1.00e-07
+  scale_start : 1.000e-07
   # Last scale to be used
-  scale_end   : 1.00e-06
+  scale_end   : 1.000e-06
   # Calculation step (overridden if `match_mode` is GRID)
-  scale_step  : 5.00e-09
+  scale_step  : 5.000e-09
   # Peak Omega
-  wp          : 3.00e+08
+  wp          : 2.99792e+08
   # Peak scale
-  xip         : 1.00e+00
+  xip         : 1.000e+00
   # Define scale explicitly (0) or in equal steps (1)
   step_flag   : 0
   # Type of scaling variable
@@ -83,15 +83,13 @@ radiation_settings:
 
 geometry_settings:
   # Maximum internal field expansion
-  li          : 4
+  li          : 20
   # Maximum external field expansion (not used by SPHERE)
-  le          : 8
+  le          : 20
   # Number of transition layer integration points
   npnt        : 149
   # Number of non transition layer integration points
   npntts      : 300
-  # Averaging mode
-  iavm        : 0
   # Meridional plane flag
   isam        : 0
   # Starting incidence azimuth angle