diff --git a/_data/navigation.yml b/_data/navigation.yml index cc8afdf..0fd550f 100644 --- a/_data/navigation.yml +++ b/_data/navigation.yml @@ -2,12 +2,12 @@ url: "/" side: left dropdown: - - title: "Features" - url: "http://docs.ipi-code.org/features.html" - - title: "The socket interface" - url: /about/interface/ - - title: "Behind the code" - url: /about/developers/ + - title: "Features" + url: "http://docs.ipi-code.org/features.html" + - title: "The socket interface" + url: /about/interface/ + - title: "Behind the code" + url: /about/developers/ - title: Download url: "/download/" @@ -16,14 +16,14 @@ - title: "Resources" side: left dropdown: - - title: "Documentation" - url: "http://docs.ipi-code.org/" - - title: "Tutorials" - url: "/resources/tutorials/" - - title: "Getting Started" - url: "/resources/getting_started/" - - title: "Forum" - url: "/resources/forum/" + - title: "Documentation" + url: "http://docs.ipi-code.org/" + - title: "Tutorials" + url: "https://docs.ipi-code.org/onlinereso.html/" + - title: "Getting Started" + url: "https://docs.ipi-code.org/getting-started.html/" + - title: "Forum" + url: "/resources/forum/" - title: "Search" url: "/search/" diff --git a/pages/getting_started.md b/pages/getting_started.md deleted file mode 100644 index fd0a265..0000000 --- a/pages/getting_started.md +++ /dev/null @@ -1,34 +0,0 @@ ---- -layout: page -title: "Getting Started" -teaser: "Starting i-PI is very easy!" -show_meta: false -header: - image_fullwidth: "wpig6_blue.jpg" -permalink: "/resources/getting_started/" ---- - -### Prerequisites - -# Mandatory: - - A decent version of python (>=3.6) - - A decent version of numpy - -#### Optional: - - A F90 compiler (gfortran preferred) - - A program to plot time series and to visualize molecular structures - (e.g. gnuplot and VMD) - - Other codes which are compatible with i-PI (Quantum Espresso, CP2K, - LAMMPS, etc.). - -### How to install and run i-PI - ---- - -If you are interested in using i-PI, we refer to the instructions contained in the -README file of the official repository, available through this [link](https://github.com/i-pi/i-pi). -Those instructions are kept up to date! Note that being written completely in Python, i-PI does -not require a real installation. - ---- - diff --git a/pages/tutorials.md b/pages/tutorials.md deleted file mode 100644 index 26ba47e..0000000 --- a/pages/tutorials.md +++ /dev/null @@ -1,58 +0,0 @@ ---- -layout: page -show_meta: false -title: "Tutorials" -header: - image_fullwidth: "wpig6_blue.jpg" -permalink: "/resources/tutorials/" ---- - -The i-PI distribution contains a number of examples and simple -demonstrative driver codes written in Fortran and Python - that can be used as the force backend for a -number of simple tests. The i-PI documentation contains a simple tutorial to get -started with using i-PI. - - -i-PI hands-on -------------- -You can also try an additional set of -guided examples that demonstrate some more advanced features of -i-PI. These tutorials are available here: - -[i-PI guided tutorials](https://github.com/i-pi/tutorials-schools) - -Note that these examples use some features (such as qTIP4P/F -water and the Zundel cation potentials in the driver code, and optionally also CP2K). -Instructions on how to install and run these codes with i-PI are contained in the tutorial. - -The theory behind many types of simulation that i-PI can do and examples of simulations -with i-PI can also be found in an online course freely available to everyone, -and accessible from this [link](https://courseware.epfl.ch/courses/course-v1:EPFL+X+2022/about). - - - - -Atomistic recipes ------------------ - -You can find a few commented examples of simulations based on i-PI in the -[atomistic cookbook](https://atomistic-cookbook.org/), such as -an [introduction to path integral simulations](https://atomistic-cookbook.org/latest/examples/path-integrals/path-integrals.html), -a discussion of [how to compute quantum heat capacities](https://atomistic-cookbook.org/latest/examples/heat-capacity/heat-capacity.html) -and an example of [path integral metadynamics](https://atomistic-cookbook.org/latest/examples/pi-metad/pi-metad.html). - -Other examples --------------- - -Examples on how to use the interface of i-PI with the [FHI-aims](http://www.fhi-berlin.mpg.de/aims/) code -are included both in the i-PI distribution and in the FHI-aims distribution, with a detailed explanation in -that code's documentation. -