#171 Reduded Hamiltonian and Energy Testing

Author: giovanni-br

examples/molkit.ipynb

@@ -109,7 +109,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 3,
+   "execution_count": 4,
    "metadata": {},
    "outputs": [
     {
@@ -164,7 +164,6 @@
     "\n",
     "H = toy.to_reduced(n_elec=N_ELEC)  # H = h↑ + 0.5 * V\n",
     "E_spin = np.einsum('pqrs,pqrs', H, rdm2)\n",
-    "\n",
     "H_gem = toy.to_geminal(H, type='h2')\n",
     "rdm_gem = toy.to_geminal(rdm2, type='rdm2')\n",
     "E_gem   = np.einsum('pq,pq', H_gem, rdm_gem)\n",