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diff --git a/.nojekyll b/.nojekyll
diff --git a/docs/source/setup.rst b/docs/source/setup.rst
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+setup module
+============
+
+.. automodule:: setup
+   :members:
+   :undoc-members:
+   :show-inheritance:
diff --git a/doctrees/changelog.doctree b/doctrees/changelog.doctree
diff --git a/doctrees/citing.doctree b/doctrees/citing.doctree
diff --git a/doctrees/environment.pickle b/doctrees/environment.pickle
diff --git a/doctrees/index.doctree b/doctrees/index.doctree
diff --git a/doctrees/installation/configuration.doctree b/doctrees/installation/configuration.doctree
diff --git a/doctrees/installation/dependencies.doctree b/doctrees/installation/dependencies.doctree
diff --git a/doctrees/installation/index.doctree b/doctrees/installation/index.doctree
diff --git a/doctrees/installation/test.doctree b/doctrees/installation/test.doctree
diff --git a/doctrees/keywords.doctree b/doctrees/keywords.doctree
diff --git a/doctrees/license.doctree b/doctrees/license.doctree
diff --git a/doctrees/mispr.common.doctree b/doctrees/mispr.common.doctree
diff --git a/doctrees/mispr.doctree b/doctrees/mispr.doctree
diff --git a/doctrees/mispr.gaussian.doctree b/doctrees/mispr.gaussian.doctree
diff --git a/doctrees/mispr.gaussian.firetasks.doctree b/doctrees/mispr.gaussian.firetasks.doctree
diff --git a/doctrees/mispr.gaussian.fireworks.doctree b/doctrees/mispr.gaussian.fireworks.doctree
diff --git a/doctrees/mispr.gaussian.utilities.doctree b/doctrees/mispr.gaussian.utilities.doctree
diff --git a/doctrees/mispr.gaussian.workflows.base.doctree b/doctrees/mispr.gaussian.workflows.base.doctree
diff --git a/doctrees/mispr.gaussian.workflows.doctree b/doctrees/mispr.gaussian.workflows.doctree
diff --git a/doctrees/mispr.hybrid.doctree b/doctrees/mispr.hybrid.doctree
diff --git a/doctrees/mispr.hybrid.firetasks.doctree b/doctrees/mispr.hybrid.firetasks.doctree
diff --git a/doctrees/mispr.hybrid.workflows.doctree b/doctrees/mispr.hybrid.workflows.doctree
diff --git a/doctrees/mispr.lammps.doctree b/doctrees/mispr.lammps.doctree
diff --git a/doctrees/mispr.lammps.firetasks.doctree b/doctrees/mispr.lammps.firetasks.doctree
diff --git a/doctrees/mispr.lammps.fireworks.doctree b/doctrees/mispr.lammps.fireworks.doctree
diff --git a/doctrees/mispr.lammps.tests.doctree b/doctrees/mispr.lammps.tests.doctree
diff --git a/doctrees/mispr.lammps.utilities.doctree b/doctrees/mispr.lammps.utilities.doctree
diff --git a/doctrees/mispr.lammps.workflows.doctree b/doctrees/mispr.lammps.workflows.doctree
diff --git a/doctrees/modules.doctree b/doctrees/modules.doctree
diff --git a/doctrees/overview.doctree b/doctrees/overview.doctree
diff --git a/doctrees/resources/faq.doctree b/doctrees/resources/faq.doctree
diff --git a/doctrees/resources/resources.doctree b/doctrees/resources/resources.doctree
diff --git a/doctrees/setup.doctree b/doctrees/setup.doctree
diff --git a/doctrees/workflows/basics.doctree b/doctrees/workflows/basics.doctree
diff --git a/doctrees/workflows/custom.doctree b/doctrees/workflows/custom.doctree
diff --git a/doctrees/workflows/supported.doctree b/doctrees/workflows/supported.doctree
diff --git a/doctrees/workflows/tutorials.doctree b/doctrees/workflows/tutorials.doctree
diff --git a/html/.buildinfo b/html/.buildinfo
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+# Sphinx build info version 1
+# This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
+config: 53aa0c497316ff79c248f7e4f876c526
+tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/html/_downloads/06920989aa58eec95718018206509e48/nmr_citation.bib b/html/_downloads/06920989aa58eec95718018206509e48/nmr_citation.bib
@@ -0,0 +1,10 @@
+@article{atwi2022automated,
+  title={An automated framework for high-throughput predictions of NMR chemical shifts within liquid solutions},
+  author={Atwi, Rasha and Chen, Ying and Han, Kee Sung and Mueller, Karl T and Murugesan, Vijayakumar and Rajput, Nav Nidhi},
+  journal={Nature Computational Science},
+  volume={2},
+  number={2},
+  pages={112--122},
+  year={2022},
+  publisher={Nature Publishing Group}
+}
diff --git a/html/_downloads/d67a679cb2e669df06832fe26664fc83/esp_tutorial.py b/html/_downloads/d67a679cb2e669df06832fe26664fc83/esp_tutorial.py
@@ -0,0 +1,16 @@
+from fireworks import LaunchPad
+
+from mispr.gaussian.workflows.base.esp import get_esp_charges
+
+lpad = LaunchPad.auto_load()
+
+wf, _ = get_esp_charges(
+    mol_operation_type="get_from_pubchem",  # (1)!
+    mol="monoglyme",
+    format_chk=True,
+    save_to_db=True,
+    save_to_file=True,
+    additional_prop_doc_fields={"name": "monoglyme"},
+    tag="mispr_tutorial",
+)
+lpad.add_wf(wf)  # (2)!
diff --git a/html/_downloads/fdd29a5720b48392c0789affcc4fb5e8/mispr_citation.bib b/html/_downloads/fdd29a5720b48392c0789affcc4fb5e8/mispr_citation.bib
@@ -0,0 +1,5 @@
+@article{atwi2022mispr,
+  title={MISPR: An automated infrastructure for high-throughput DFT and MD simulations},
+  author={Atwi, Rasha and Bliss, Matthew and Makeev, Maxim and Rajput, Nav Nidhi},
+  year={2022}
+}
diff --git a/html/_images/analysis.png b/html/_images/analysis.png
diff --git a/html/_images/convergence.png b/html/_images/convergence.png
diff --git a/html/_images/document.png b/html/_images/document.png
diff --git a/html/_images/overview.png b/html/_images/overview.png
diff --git a/html/_images/summary.jpeg b/html/_images/summary.jpeg
diff --git a/html/_images/workflow.png b/html/_images/workflow.png