Bugfix of wrong calculations of number of protons (and electrons) by …

…making hydrogen start at 1 and not 2. Removed binary files that should not be in the repo.
bsenjean · Apr 1, 2019 · 8b96cd2 · 8b96cd2
1 parent afd0562
commit 8b96cd2
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Showing 3 changed files with 2 additions and 2 deletions.
diff --git a/openfermion_dirac/_molecular_data_Dirac.py b/openfermion_dirac/_molecular_data_Dirac.py
@@ -62,7 +62,7 @@ def angstroms_to_bohr(distance):
 
 # The Periodic Table as a python list and dictionary.
 periodic_table = [
-    '?','foo',
+    '?',
     'H', 'He',
     'Li', 'Be',
     'B', 'C', 'N', 'O', 'F', 'Ne',
@@ -87,7 +87,7 @@ def angstroms_to_bohr(distance):
     periodic_hash_table[atom] = atomic_number
 
 # Spin polarization of atoms on period table.
-periodic_polarization = [-1,-1,
+periodic_polarization = [-1,
                          1, 0,
                          1, 0, 1, 2, 3, 2, 1, 0,
                          1, 0, 1, 2, 3, 2, 1, 0,

diff --git a/utils/dirac_openfermion_mointegral_export.mod b/utils/dirac_openfermion_mointegral_export.mod
diff --git a/utils/dirac_openfermion_mointegral_export.x b/utils/dirac_openfermion_mointegral_export.x