99-problems.ipynb

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    "# Exercise"
   ]
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   "source": [
    "## super cell expansion\n",
    "\n",
    "- load Au.cif cif file and convert it to a 2x2x2 supercell"
   ]
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   "source": [
    "# hints:\n",
    "# see diffpy.structure.loadStructure function and\n",
    "# diffpy.structure.expansion module."
   ]
  },
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   "cell_type": "markdown",
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   "source": [
    "## particle generation from crystal structure\n",
    "\n",
    "- create a spherical cutout (radius = 8A) from Au.cif crystal structure"
   ]
  },
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   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "# hints: see diffpy.structure.expansion module"
   ]
  },
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   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## make cylindrical layer\n",
    "\n",
    "- load Au.cif cif file and expand it to a cylindrical layer with R=30A, d=4A."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## extract molecule from a CIF file\n",
    "\n",
    "- extract single quinacridone molecule from the quinacridone-beta.cif structure"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
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