hsph_Csca

examples/hsph_Csca/README.md

@@ -0,0 +1,12 @@
+The hsph_Csca_ADDA_V2 python code allows the user to perform controlled simulations using ADDA 1.4.0, read and save the results, while integrating the scattering cross section in two angular hemispheres.
+The code is featuring also a user-friendly GUI for Windows environments (10 and 11 have been tested). 
+Please, read carefully the guide and the comments in the code as it is still an experimental version.
+
+To start, put hsph_Csca_ADDA_V2.py, lambda_nk_test.txt and all_dir_params.dat in the same folder where the adda executable is (usually win64), then run the python script.
+An user-friendly and self-explanatory GUI should appear, with some preset parameters. 
+The preset values simulate a sphere of 50nm radius, 32x32x32 scattering grid, in free space, with a theta grid going from 0° to 180° with steps of 0.5°,
+a phi grid going from 0° to 360° with steps of 2°, and with internal ADDA integration to check the consistency. 
+To run the simulation click on the "Run" box. To perform the integrations and save the results, clik on the "Upload" box.
+To plot the result, click the "Plot" box.
+
+A more detailed explanation of the code functioning and parameters meaning is included in the pdf hsph_Csca_V2_guide.

examples/hsph_Csca/alldir_params.dat

@@ -0,0 +1,43 @@
+# Description of the coverage of the whole solid angle for integration 
+#
+# This file should be manually modified by user. 
+# Program does not assume any symmetries of the particle. Therefore, possible symmetries should be considered by user
+# and this can lead to decrease of integration limits 
+
+theta:
+# default: min=0;max=180;Jmin=2;Jmax=6;eps=0;equiv=false;periodic=false
+min=0
+max=180
+Jmin=2
+Jmax=6
+eps=0
+equiv=false
+periodic=false
+
+phi:
+# default: min=0;max=360;Jmin=2;Jmax=5;eps=0;equiv=true;periodic=true
+# axysymmmetrical: max=90;equiv=false;Jmax=3 -> discard values of g.x and g.y (consider them zero)
+min=0
+max=360
+Jmin=2
+Jmax=5
+eps=0
+equiv=true
+periodic=true
+
+# all angles are specified in degrees
+# all values are precalculated; so high 'eps' does not decrease computational time, but may decrease accuracy.
+# If eps=0, Jmin is not used.
+
+# Jmin,Jmax are minimum and maximum numbers of refinement stages
+# Nmax = 2^Jmax + 1
+# for those with equiv=true Nmax is effectively less by 1 
+# total calls of function <= Nmax_theta * Nmax_phi
+
+# equiv means whether it is assumed that max and min values are completely equivalent. If true only one of them is
+# calculated.
+
+# periodic means whether function is periodic in the integrated interval. If true trapezoid rule is used; it is possible
+# that interval is half of the function period.
+
+# axysymmetrical <=> particle with z - axis of symmetry

examples/hsph_Csca/lambda_nk_test.txt

@@ -0,0 +1,4 @@
+200	1.722	0.166	1.91
+204	1.734	0.139	1.90
+208	1.746	0.12	1.89
+212	1.758	0.11	1.88