Differences

This shows you the differences between two versions of the page.

--- tutorials [2015/07/13 16:45] – [Basic Topics] 130.18.127.135
+++ howto [2017/09/29 10:11] – [Advanced Topics] dgolze
@@ Line 1: / Line 1: @@
 ~~NOCACHE~~
-====== Tutorials ======
+====== HOWTOs ======
-Several [[events| CP2K tutorials]] have been held. Lectures and exercises from these are useful starting points.  In addition, several tutorials on specific aspects of using CP2K are below.
+Please feel free to contribute a HOWTO page, click [[howto:wiki|here]] for instructions.
-Please feel free to contribute, and add to the list of tutorials on this page. Click [[howto:wiki|here]] for instructions on how to add new tutorials.
 ===== Installation =====
@@ Line 24: / Line 22: @@
 ===== Advanced Topics =====
   * [[http://www.travis-analyzer.de/files/travis_ir_raman.pdf|How to calculate infrared and Raman spectra from MD]] with CP2K and [[http://www.travis-analyzer.de/|TRAVIS]].
-  * [[howto:langevin_regions|Regions undergoing Born-Oppenheimer molecular dynamics connected with thermal baths, using Generalised Langevin MD]]
+  * [[howto:langevin_regions|How to run Born-Oppenheimer MD with regions connected to thermal baths using Generalised Langevin MD]]
   * [[howto:libcusmm | How to use the auto-tuning of Libcusmm]]
   * [[howto:generate_manual| How to generate the input reference manual]]
   * [[howto:pgo | How to build with profile guided optimization]]
   * [[howto:stm | How to generate STM images from CP2K simulation]]
+  * [[howto:resp | How to fit RESP charges in CP2K]]
+  * [[howto:cp2k_omen | How to perform DFT+NEGF transport calculations with CP2K and OMEN]]
+  * [[howto:lrigpw | How to run DFT with local resolution-of-the-identity in CP2K]]
+  * [[howto:biochem_qmmm|How to run QM/MM simulations for biochemical systems]]
+  * [[howto:ic-qmmm| How to run IC-QM/MM simulations for interface systems]]
+  * [[howto:shifter|How run with Shifter / Docker]]
 ===== Applications / Case Studies =====
   * [[ science | Example published work using CP2K ]]