From dd0968e2e32cbfced47c1b75b7753ce614423c4d Mon Sep 17 00:00:00 2001
From: Paul Saxe <paul@thesaxes.net>
Date: Thu, 4 Feb 2021 10:42:46 -0500
Subject: [PATCH] Fixed concerns raised by LGTM.

---
 psi4_step/psi4.py | 29 +----------------------------
 1 file changed, 1 insertion(+), 28 deletions(-)

diff --git a/psi4_step/psi4.py b/psi4_step/psi4.py
index 4107c84..4c53179 100644
--- a/psi4_step/psi4.py
+++ b/psi4_step/psi4.py
@@ -558,34 +558,7 @@ def _convert_structure(self, name=None):
             structure.append('molecule ' + name + ' {')
 
         # Charge and multiplicity
-        if False and 'extras' in configuration:
-            extras = configuration['extras']
-
-            if 'open' in extras and extras['open'] is not None:
-                openshell = extras['open']
-                if (
-                    (
-                        isinstance(openshell, tuple) or
-                        isinstance(openshell, list)
-                    ) and len(openshell) > 1
-                ):
-                    nopen = openshell[0]
-                    norbitals = openshell[1]
-                    if nopen != norbitals:
-                        raise NotImplementedError(
-                            f"Handling of open shell = '{openshell}'"
-                        )
-                else:
-                    nopen = openshell
-                    norbitals = nopen
-
-                if 'net_charge' in extras and extras['net_charge'] is not None:
-                    structure.append(f"    {extras['net_charge']}   {nopen}")
-                else:
-                    structure.append(f'    0   {nopen}')
-            else:
-                if 'net_charge' in extras and extras['net_charge'] is not None:
-                    structure.append(f"    {extras['net_charge']}   1")
+        # not handled yet!!!!
 
         elements = configuration.atoms.symbols
         coordinates = configuration.atoms.coordinates