checking.ipynb

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   "id": "407c1ff5-f94e-4eb5-872b-d39afb1db221",
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   "outputs": [],
   "source": [
    "import edrixs"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "103d69e6-4654-40ad-abde-f7e93b6af740",
   "metadata": {},
   "source": [
    "Check docstring of write_fock_dec_by_N"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "c6a68335-0c8e-4a92-8052-575fd9c0f9fd",
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    {
     "name": "stdout",
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     "text": [
      "\n",
      "    Get decimal digitals to represent Fock states, sort them by\n",
      "    ascending order and then write them to file.\n",
      "\n",
      "    Parameters\n",
      "    ----------\n",
      "    N: int\n",
      "       Number of orbitals.\n",
      "    r: int\n",
      "        Number of occuancy.\n",
      "    fname: string\n",
      "        File name.\n",
      "\n",
      "    Returns\n",
      "    -------\n",
      "    ndim: int\n",
      "        The dimension of the Hilbert space\n",
      "\n",
      "    Examples\n",
      "    --------\n",
      "    >>> import edrixs\n",
      "    >>> edrixs.write_fock_dec_by_N(4, 2, 'fock_i.in')\n",
      "    file fock_i.in looks like\n",
      "    15\n",
      "    3\n",
      "    5\n",
      "    6\n",
      "    9\n",
      "    10\n",
      "    12\n",
      "    17\n",
      "    18\n",
      "    20\n",
      "    24\n",
      "    33\n",
      "    34\n",
      "    36\n",
      "    40\n",
      "    48\n",
      "\n",
      "    where, the first line is the total numer of Fock states,\n",
      "    and the following lines are the Fock states in decimal form.\n",
      "    \n"
     ]
    }
   ],
   "source": [
    "print(edrixs.write_fock_dec_by_N.__doc__)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "e82b75e6-653b-4763-8ecf-17654d648050",
   "metadata": {},
   "source": [
    "docstring already looks wrong! shouldn't (4, 2) yield 6 entries?"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "b0b55e9b-08e9-474a-8224-63fab3fa7b07",
   "metadata": {},
   "source": [
    "use write_fock_dec_by_N to check argument of (4, 2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "20b5e1fb-b16a-45b5-93bd-85726e3ca485",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "6 entries\n",
      "Int: binary\n",
      "  3: 0011\n",
      "  5: 0101\n",
      "  6: 0110\n",
      "  9: 1001\n",
      " 10: 1010\n",
      " 12: 1100\n"
     ]
    }
   ],
   "source": [
    "norb = 4\n",
    "edrixs.write_fock_dec_by_N(norb, 2, fname='fock_i.in')\n",
    "\n",
    "with open(\"fock_i.in\") as f:\n",
    "    lines = f.readlines()\n",
    "    print(f\"{int(lines[0])} entries\")\n",
    "    print(f\"Int: binary\")\n",
    "    for bstring in lines[1:]:\n",
    "        b = int(bstring)\n",
    "        print(f\"{b:{3}}: {b:0{norb}b}\")"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "005b98b1-6af6-4f52-a689-dc3e791a3141",
   "metadata": {},
   "source": [
    "This result look right."
   ]
  },
  {
   "cell_type": "markdown",
   "id": "ad1148a5-098f-4893-95f4-1ba6cdfa08a2",
   "metadata": {},
   "source": [
    "The result in the doc string seems to be relevant to (6, 2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "b1f16a9c-0224-442d-8e40-ec1689923672",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "15 entries\n",
      "Int: binary\n",
      "  3: 0011\n",
      "  5: 0101\n",
      "  6: 0110\n",
      "  9: 1001\n",
      " 10: 1010\n",
      " 12: 1100\n",
      " 17: 10001\n",
      " 18: 10010\n",
      " 20: 10100\n",
      " 24: 11000\n",
      " 33: 100001\n",
      " 34: 100010\n",
      " 36: 100100\n",
      " 40: 101000\n",
      " 48: 110000\n"
     ]
    }
   ],
   "source": [
    "edrixs.write_fock_dec_by_N(6, 2, fname='fock_i.in')\n",
    "\n",
    "with open(\"fock_i.in\") as f:\n",
    "    lines = f.readlines()\n",
    "    print(f\"{int(lines[0])} entries\")\n",
    "    print(f\"Int: binary\")\n",
    "    for bstring in lines[1:]:\n",
    "        b = int(bstring)\n",
    "        print(f\"{b:{3}}: {b:0{norb}b}\")"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "45a93b7e-d96c-466f-ab72-585c8552337b",
   "metadata": {},
   "source": [
    "More problematically still. What is going on with (5, 3)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "id": "b90fb313-a52e-4aa5-993b-4a9ddf80c2d4",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "4 entries\n",
      "Int: binary\n",
      "  7: 00111\n",
      " 11: 01011\n",
      " 13: 01101\n",
      " 14: 01110\n"
     ]
    }
   ],
   "source": [
    "norb = 5\n",
    "edrixs.write_fock_dec_by_N(norb, 3, fname='fock_i.in')\n",
    "\n",
    "with open(\"fock_i.in\") as f:\n",
    "    lines = f.readlines()\n",
    "    print(f\"{int(lines[0])} entries\")\n",
    "    print(f\"Int: binary\")\n",
    "    for bstring in lines[1:]:\n",
    "        b = int(bstring)\n",
    "        print(f\"{b:{3}}: {b:0{norb}b}\")"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "33e2357b-444f-458c-a1c1-10544cc6cb99",
   "metadata": {},
   "source": [
    "Missing entries starting with 1"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "906d4ca9-94e5-4050-9f97-e40576419e25",
   "metadata": {},
   "outputs": [],
   "source": []
  }
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