Update README.md

README.md

@@ -10,9 +10,6 @@
 [![DOI](https://flat.badgen.net/static/DOI/10.1038%2Fs41524-023-00969-x)](https://www.nature.com/articles/s41524-023-00969-x)
 
 
-**NOTE**: we are preparing v4.0.0 -- the API is approximately final but the
-documentation is still WIP. If you encounter a bug or would like to request a feature,
-feel free to [open an issue](https://github.com/molmod/psiflow/issues/new)!
 
 # Scalable Molecular Simulation
 
@@ -64,31 +61,37 @@ The only requirement is that you set up a Python environment and provide a `conf
 # FAQ
 
 **Where do I start?**
+
 Take a brief look at the [examples](https://github.com/molmod/psiflow/examples/) or the
 [documentation](https://molmod.github.io/psiflow) to get an idea for psiflow's
 capabilities. Next, head over to the [setup & configuration](https://molmod.github.io/psiflow/configuration/) section of the docs to get started!
 
 **Is psiflow a workflow manager?**
+
 Absolutely not! Psiflow is a Python library which allows you to perform complex molecular simulations and scale them towards large numbers of compute nodes automatically.
 It does not have 'fixed' workflow recipes, it does not require you to set up 'databases'
 or 'server daemons'. The only thing it does is expose a concise and powerful API to
 perform arbitrarily complex calculations in a highly efficiently manner.
 
 **Is it compatible with my cluster?**
+
 Most likely yes. Check which resource scheduling system your cluster uses (probably either
 SLURM/PBSPro/SGE). If you're not sure, ask your system administrators or open an issue
 
 **Can I use VASP with it?**
+
 You cannot automate VASP calculations with it, but in 99% of cases there is either no need
 to use VASP, or it's very easy to quickly perform the VASP part manually, outside of psiflow,
 and do everything else (data generation, ML potential training, sampling) with psiflow.
 Open an issue if you're not sure how to do this.
 
 **I would like to have feature X**
+
 Psiflow is continuously in development; if you're missing a feature feel free to open an
 issue or pull request!
 
 **I have a bug. Where is my error message and how do I solve it?**
+
 Psiflow covers essentially all major aspects of computational molecular simulation (most
 notably including the executation and parallelization), so there's bound to be some bug
 once in a while. Debugging can be challenging, and we recommend to follow the following steps in
@@ -112,9 +115,11 @@ order:
    `psiflow_internal/000/submit_scripts/`.
 
 **Where do these container images come from?**
+
 They were generated using Docker based on the recipes in this repository, and were then
 converted to `.sif` format using `apptainer`
 
 **Can I run psiflow locally for small runs or debug purposes?**
+
 Of course! If you do not provide a `config.yaml`, psiflow will just use your local
 workstation for its execution. See e.g. [this](https://github.com/molmod/psiflow/blob/main/configs/threadpool.yaml) or [this](https://github.com/molmod/psiflow/blob/main/configs/wq.yaml) config used for testing.