resolve #201, claculate from far away towards short distance (#90)

Author: nikolasibalic

arc/__init__.py

@@ -3,7 +3,7 @@
 # this is automatically parsed by Aphinx module in Python, using napoleon addon
 from __future__ import division, print_function, absolute_import
 
-__version__ = "3.10.1"
+__version__ = "3.10.2"
 
 __all__ = [
     "AlkaliAtom",

arc/calculations_atom_pairstate.py

@@ -3304,7 +3304,7 @@ def diagonalise(
                 more verbose output.
         """
 
-        self.r = np.sort(rangeR)
+        self.r = np.sort(rangeR)[::-1]
         dimension = len(self.basisStates)
 
         self.noOfEigenvectors = noOfEigenvectors
@@ -3420,7 +3420,7 @@ def diagonalise(
             print("\n\nDiagonalizing interaction matrix...\n")
 
         rvalIndex = 0.0
-        previousEigenvectors = []
+        previousEigenvectors = None
 
         for rval in self.r:
             if progressOutput:
@@ -3454,7 +3454,7 @@ def diagonalise(
                 # previous diagonalisatoin, in order to find "adiabatic"
                 # continuation for the respective states
 
-                if previousEigenvectors == []:
+                if previousEigenvectors is None:
                     previousEigenvectors = np.copy(egvector)
                 rowPicked = [False for i in range(len(ev))]
                 columnPicked = [False for i in range(len(ev))]

pyproject.toml

@@ -18,7 +18,7 @@ arc = ["data/*", "data/refractive_index_data/*", "arc_c_extensions.c"]
 [project]
 name = "ARC-Alkali-Rydberg-Calculator"
 description = "Alkali Rydberg Calculator"
-version = "3.10.1"
+version = "3.10.2"
 authors = [
     {name = "Nikola Sibalic", email = "nikolasibalic@physics.org"},
     {name = "Elizabeth J. Robertson"},
@@ -64,7 +64,7 @@ dependencies = [
     "lmfit>=0.9.0",
     "rich>=13.9.4",
     "h5py>=3.11.0",
-    "asteval>=1.0.6", # avoid upstream CVE-2025-24359 
+    "asteval>=1.0.6", # avoid upstream CVE-2025-24359
 ]
 
 [project.readme]
@@ -75,7 +75,7 @@ content-type = "text/markdown"
 Homepage = "https://atomcalc.org/"
 Repository = "https://github.com/nikolasibalic/ARC-Alkali-Rydberg-Calculator"
 Documentation = "https://arc-alkali-rydberg-calculator.readthedocs.io/en/latest/"
-Download = "https://github.com/nikolasibalic/ARC-Alkali-Rydberg-Calculator/archive/refs/tags/v3.10.1.tar.gz"
+Download = "https://github.com/nikolasibalic/ARC-Alkali-Rydberg-Calculator/archive/refs/tags/v3.10.2.tar.gz"
 
 [dependency-groups]
 dev = [