Added additional comments about the fact that averaged over orientati…

…on cross sections are calculated for unpolarized incident light (and hence are independent on the alpha range). A number of minor syntax changes.

input/avg_params.dat

@@ -7,7 +7,8 @@
 
 alpha:
 # calculation for alpha is cheap but only precalculated, therefore Jmax should be rather large.
-# Jmin and eps are really not used;
+# Jmin and eps are really not used.
+# Completely irrelevant, when only cross sections are calculated ('-scat_matr none').
 # Do not change the range from default unless you have a good reason; using only one value of gamma for beta=0,pi is
 #   done only when full range is specified here to avoid possible inaccuracies.
 # default: min=0;max=360;Jmax=5;equiv=true;periodic=true

src/CalculateE.c

@@ -580,6 +580,10 @@ static void CalcIntegralScatQuantities(const enum incpol which)
 				muel_alpha[-1]=Cabs;
 			}
 			else { // which == INCPOL_X
+				/* These formulae assume that cross sections need to be calculated for unpolarized incident light. It
+				 * doesn't matter (equal to the result for any linear polarization), when full averaging over alpha is
+				 * performed. However, the difference occur for non-full range of alpha (which is hardly ever used).
+				 */
 				muel_alpha[-2]=(muel_alpha[-2]+Cext)/2;
 				muel_alpha[-1]=(muel_alpha[-1]+Cabs)/2;
 			}

src/iterative.c

@@ -976,22 +976,22 @@ ITER_FUNC(_name_) // only '_name_' should be changed, the macro expansion will d
 			// an example for checking of convergence failure (optional)
 			if (xxx<EPS1) LogError(ONE_POS,"_name_ fails: xxx is too small ("GFORM_DEBUG").",xxx);
 
-		/* _Some_ iterative solvers contain extra checks for convergence in the _middle_ of an iteration, designed to
-		 * save time of, e.g., one matrix-vector product in some cases. They should be performed as follows. In
-		 * particular, the intermediate test will be skipped if final checkpoint is required (checkpoint of type
-		 * 'always').
-		 */
-		if (inprodRp1<epsB && chp_type!=CHP_ALWAYS) {
-			// Additional code, e.g. to set xvec to the final value
-			complete=false; // this is required to skip saving checkpoint and some timing
-		}
-		else {
-			// Continue the iteration normally
-		}
-		/* Common check for convergence at the end of an iteration should not be done here, because it is performed in
-		 * the function IterativeSolver.
-		 */
-		return;
+			/* _Some_ iterative solvers contain extra checks for convergence in the _middle_ of an iteration, designed
+			 * to save time of, e.g., one matrix-vector product in some cases. They should be performed as follows. In
+			 * particular, the intermediate test will be skipped if final checkpoint is required (checkpoint of type
+			 * 'always').
+			 */
+			if (inprodRp1<epsB && chp_type!=CHP_ALWAYS) {
+				// Additional code, e.g. to set xvec to the final value
+				complete=false; // this is required to skip saving checkpoint and some timing
+			}
+			else {
+				// Continue the iteration normally
+			}
+			/* Common check for convergence at the end of an iteration should not be done here, because it is performed in
+			 * the function IterativeSolver.
+			 */
+			return;
 	}
 	LogError(ONE_POS,"Unknown phase (%d) of the iterative solver",(int)ph);
 #undef EPS1

src/ocl/Makefile

@@ -52,7 +52,7 @@ else # the following is only for non-sparse mode
     # "...libclAmdFft.Runtime.so: undefined reference to `clRetainContext@OPENCL_1.0'"
     # This is caused by Nvidia OpenCL libraries on Linux (hopefully it will disappear in next releases of this library)
     # The drawback of this workaround is that a warning would appear at each execution of adda_ocl. If you don't like 
-    # it, provide another libOpenCL.so (e.g. that from AMD) for linkig.
+    # it, provide another libOpenCL.so (e.g. that from AMD) for linking.
     #LDFLAGS +=-Wl,--unresolved-symbols=ignore-in-shared-libs
   endif
 endif