add citation

README.md

@@ -1,24 +1,32 @@
-# atomistic-software
+# Trends in atomistic simulation engines
 
 [atomistic.software](https://atomistic.software/#/) aims to track the citation trends of all major atomistic simulation engines.
 
-This is the git source code repository powering the [atomistic.software](https://atomistic.software/#/).
-### Scope
+This is the git source code repository powering the [atomistic.software](https://atomistic.software/#/) website.
 
-Working definition of an "atomistic simulation engine": a piece of software that, given two sets of atomic elements and positions, can compute their (relative) internal energies. In almost all cases, codes will also be able to compute the derivative of the energy with respect to the positions, i.e. the forces on the atoms, and thus be able to perform tasks like geometry optimizations or molecular dynamics. This covers the codes in the `DFT`, `WFM`, `QMC`, `TB`, and `FF` categories.
+## How to cite
 
-Codes in the `Spectroscopy` category are not necessarily simulation engines in the above sense, but are able to compute the response of a given set of atomic elements to an external excitation (via photons, electrons, ...).
-### Adding a simulation engine
+You are welcome to cite [atomistic.software](https://atomistic.software/#/) in your scientific work in the following ways:
+
+Talirz, L. *Trends in atomistic simulation engines.* [https://atomistic.software](https://atomistic.software/#/) (2021)
+
+## Scope
+
+Working definition of an *atomistic simulation engine*: a piece of software that, given two sets of atomic elements and positions, can compute their (relative) internal energies. 
+In almost all cases, engines will also be able to compute the derivative of the energy with respect to the positions, i.e. the forces on the atoms, and thus be able to perform tasks like geometry optimizations or molecular dynamics.
+This covers the `DFT`, `WFM`, `QMC`, `TB`, and `FF` categories.
+
+Softwares in the `Spectroscopy` category are not necessarily simulation engines in the above sense, but are able to compute the response of a given atomic structure to an external excitation (via photons, electrons, ...).
+## Adding a simulation engine
 
 Contributions of new simulation engines are always welcome!
 
 In order to keep the length of the list manageable, new atomistic simulation engines need to have had at least **one year with 100 citations** or more. 
-This criterion is put in place in order to keep the length of the list manageable.
-It is obviously somewhat arbitrary (and is not fulfilled by all historical entries on the list) and may be relaxed over time.
+It is obviously somewhat arbitrary (and is not fulfilled by all historical entries on the list), and may be relaxed over time.
 
 #### Option 1: Suggest addition
 
-If you're not familiar with github or don't have time to add the engine yourself, just [add a comment](https://github.com/ltalirz/atomistic-software/issues/21) with your suggestion.
+If you're not familiar with GitHub or don't have time to add the engine yourself, just [add a comment](https://github.com/ltalirz/atomistic-software/issues/21) with your suggestion.
 
 #### Option 2: Make a pull request
 
@@ -31,24 +39,10 @@ The second step can also be performed in an automated way by the maintainer of t
 
 This project was bootstrapped with [Create React App](https://github.com/facebook/create-react-app).
 
-### `npm start`
-
-Runs the app in the development mode.
-Open [http://localhost:3000](http://localhost:3000) to view it in the browser.
-
-### `npm test`
-
-Launches the test runner in the interactive watch mode.
-See the section about [running tests](https://facebook.github.io/create-react-app/docs/running-tests) for more information.
-
-### `npm run build`
-
-Builds the app for production to the `build` folder.\
-It correctly bundles React in production mode and optimizes the build for the best performance.
-
-The build is minified and the filenames include the hashes.
-
-See the section about [deployment](https://facebook.github.io/create-react-app/docs/deployment) for more information.
+ * `npm start`runs the app in the development mode.
+ * `npm test` launches the test runner in the interactive watch mode, see [running tests](https://facebook.github.io/create-react-app/docs/running-tests).
+ * `npm run build` builds the app for production to the `build` folder (bundles React and optimizes for performance).
+ * `npm run deploy` deploys the app to GitHub pages.
 
 ## Acknowledgements
 

package.json

@@ -1,7 +1,6 @@
 {
   "name": "atomistic-software",
   "homepage": "https://atomistic.software",
-  "version": "0.1.0",
   "author": {
     "name": "Leopold Talirz",
     "url": "https://sites.google.com/site/leotalirz/"