new branch with changes to the qibochem/README.md

README.md

@@ -1,51 +1,61 @@
-# Qibochem
-
-![Tests](https://github.com/qiboteam/qibochem/workflows/Tests/badge.svg)
-[![codecov](https://codecov.io/gh/qiboteam/qibochem/graph/badge.svg?token=2CMDZP1GU2)](https://codecov.io/gh/qiboteam/qibochem)
-
-Qibochem is a plugin to [Qibo](https://github.com/qiboteam/qibo) for quantum chemistry simulations.
-
-Some of the features of Qibochem are:
-
-* General purpose `Molecule` class
-  * PySCF for calculating the molecular  1- and 2-electron integrals
-  * User defined orbital active space
-* Unitary Coupled Cluster Ansatz
-* Various Qibo backends (numpy, JIT, TN) for efficient simulation
-
-## Documentation
-
-The Qibochem documentation can be found [here](https://qibo.science/qibochem/stable)
-
-## Minimum working example:
-
-An example of building the UCCD ansatz with a H2 molecule
-
-```
-import numpy as np
-from qibo.models import VQE
-
-from qibochem.driver.molecule import Molecule
-from qibochem.ansatz.hf_reference import hf_circuit
-from qibochem.ansatz.ucc import ucc_circuit
-
-# Define the H2 molecule and obtain its 1-/2- electron integrals with PySCF
-h2 = Molecule([('H', (0.0, 0.0, 0.0)), ('H', (0.0, 0.0, 0.7))])
-h2.run_pyscf()
-# Generate the molecular Hamiltonian
-hamiltonian = h2.hamiltonian()
-
-# Build a UCC circuit ansatz for running VQE
-circuit = hf_circuit(h2.nso, sum(h2.nelec))
-circuit += ucc_circuit(h2.nso, [0, 1, 2, 3])
-
-# Create and run the VQE, starting with random initial parameters
-vqe = VQE(circuit, hamiltonian)
-
-initial_parameters = np.random.uniform(0.0, 2*np.pi, 8)
-best, params, extra = vqe.minimize(initial_parameters)
-```
-
-## Contributing
-
-Contributions, issues and feature requests are welcome.
+# Qibochem
+
+![Tests](https://github.com/qiboteam/qibochem/workflows/Tests/badge.svg)
+[![codecov](https://codecov.io/gh/qiboteam/qibochem/graph/badge.svg?token=2CMDZP1GU2)](https://codecov.io/gh/qiboteam/qibochem)
+
+Qibochem is a plugin to [Qibo](https://github.com/qiboteam/qibo) for quantum chemistry simulations.
+
+Some of the features of Qibochem are:
+
+* General purpose `Molecule` class
+  * PySCF for calculating the molecular  1- and 2-electron integrals
+  * User defined orbital active space
+* Unitary Coupled Cluster Ansatz
+* Various Qibo backends (numpy, JIT, TN) for efficient simulation
+
+## Documentation
+
+The Qibochem documentation can be found [here](https://qibo.science/qibochem/stable)
+
+## Minimum working example:
+
+An example of building the UCCD ansatz with a H2 molecule
+
+```
+import numpy as np
+from qibo.models import VQE
+
+from qibochem.driver.molecule import Molecule
+from qibochem.ansatz.hf_reference import hf_circuit
+from qibochem.ansatz.ucc import ucc_circuit
+
+# Define the H2 molecule and obtain its 1-/2- electron integrals with PySCF
+h2 = Molecule([('H', (0.0, 0.0, 0.0)), ('H', (0.0, 0.0, 0.7))])
+h2.run_pyscf()
+# Generate the molecular Hamiltonian
+hamiltonian = h2.hamiltonian()
+
+# Build a UCC circuit ansatz for running VQE
+circuit = hf_circuit(h2.nso, sum(h2.nelec))
+circuit += ucc_circuit(h2.nso, [0, 1, 2, 3])
+
+# Create and run the VQE, starting with random initial parameters
+vqe = VQE(circuit, hamiltonian)
+
+initial_parameters = np.random.uniform(0.0, 2*np.pi, 8)
+best, params, extra = vqe.minimize(initial_parameters)
+```
+
+## Citation policy
+
+If you use Qibochem in your research, please cite the following Zenodo DOI:
+
+[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.10473173.svg)](https://doi.org/10.5281/zenodo.10473173)
+
+## Contact
+
+For questions, comments and suggestions please contact us at [https://matrix.to/#/#qibo:matrix.org](url)
+
+## Contributing
+
+Contributions, issues and feature requests are welcome.

doc/Makefile

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-# Minimal makefile for Sphinx documentation
-#
-
-# You can set these variables from the command line, and also
-# from the environment for the first two.
-SPHINXOPTS    ?=
-SPHINXBUILD   ?= sphinx-build
-SOURCEDIR     = source
-BUILDDIR      = build
-
-# Put it first so that "make" without argument is like "make help".
-help:
-	@$(SPHINXBUILD) -M help "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)
-
-.PHONY: help Makefile
-
-# Catch-all target: route all unknown targets to Sphinx using the new
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-%: Makefile
-	@$(SPHINXBUILD) -M $@ "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)
+# Minimal makefile for Sphinx documentation
+#
+
+# You can set these variables from the command line, and also
+# from the environment for the first two.
+SPHINXOPTS    ?=
+SPHINXBUILD   ?= sphinx-build
+SOURCEDIR     = source
+BUILDDIR      = build
+
+# Put it first so that "make" without argument is like "make help".
+help:
+	@$(SPHINXBUILD) -M help "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)
+
+.PHONY: help Makefile
+
+# Catch-all target: route all unknown targets to Sphinx using the new
+# "make mode" option.  $(O) is meant as a shortcut for $(SPHINXOPTS).
+%: Makefile
+	@$(SPHINXBUILD) -M $@ "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)

doc/source/_static/css/style.css

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+.wy-side-nav-search {
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+}
+
+.wy-nav-top {
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+}