Differences

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

--- howto [2024/01/03 13:21] – oschuett
+++ howto [2024/05/29 15:47] (current) – oschuett
@@ Line 3: / Line 3: @@
 ====== HOWTOs ======
-Please feel free to contribute a HOWTO page, click [[howto:wiki|here]] for instructions.
+<note important>Most howtos have been moved to https://manual.cp2k.org.</note>
 ===== Installation =====
@@ Line 20: / Line 20: @@
   * [[howto:wiki|How to use the Wiki]]
   * [[howto:static_calculation|How to Calculate Energy and Forces]]
-  * [[howto:converging_cutoff|How to Converge the CUTOFF and REL_CUTOFF]]
   * [[howto::running_qe_computation| How to run QE types of calculations with CP2K and SIRIUS]]
-  * [[howto:geometry_optimisation|How to run Geometry Optimization]]
-  * [[https://manual.cp2k.org/trunk/methods/sampling/molecular_dynamics.html|How to run Molecular Dynamics]]
-  * [[https://manual.cp2k.org/trunk/methods/post_hartree_fock/mp2.html|How to run MP2 Calculations]]
   * [[howto:gethelp|How to ask a question on Google groups]]
-  * [[https://manual.cp2k.org/trunk/methods/sampling/monte_carlo.html|How to run GEMC calculations]]
   * [[howto:dft+u|How to run a DFT+U calculation]]
@@ Line 33: / Line 28: @@
   * [[https://brehm-research.de/spectroscopy|How to calculate vibrational spectra from AIMD]] with CP2K and [[http://www.travis-analyzer.de/|TRAVIS]] (Updated 2018).
   * [[https://brehm-research.de/bqb|Lossless compression of trajectories and Cube files - the bqb format]].
-  * [[howto:langevin_regions|How to run Born-Oppenheimer MD with regions connected to thermal baths using Generalised Langevin MD]]
-  * [[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]]
-  * [[https://manual.cp2k.org/trunk/methods/dft/local_ri.html| How to run DFT with local resolution-of-the-identity in CP2K]]
-  * [[https://manual.cp2k.org/trunk/methods/qm_mm/builtin.html|How to run QM/MM simulations for biochemical systems]]
-  * [[https://manual.cp2k.org/trunk/methods/qm_mm/image_charges.html| How to run IC-QM/MM simulations for interface systems]]
   * [[howto:shifter|How run with Shifter / Docker]]
-  * [[https://manual.cp2k.org/trunk/methods/dft/constrained.html|How to perform constrained DFT (CDFT) simulations]]
-  * [[https://manual.cp2k.org/trunk/methods/machine_learning/pao-ml.html|How to run simulations with PAO-ML]]
-  * [[https://manual.cp2k.org/trunk/methods/embedding/kim-gordon.html|How to run KG calculations]]
-  * [[howto:xas_tdp| How to run a XAS LR-TDDFT calculation]]
-  * [[howto:delta_kick| How to run a Real-Time TDDFT calculation for absorption spectroscopy using Delta Kick]]
-  * [[howto:rtp_field_xas| How to run a Real-Time TDDFT with explicit field: Resonant X-Ray example]]
-  * [[https://manual.cp2k.org/trunk/methods/sampling/i-pi.html| How to run I-PI with CP2K]]
-  * [[https://manual.cp2k.org/trunk/methods/gw.html| How to run GW for single-electron energy levels]]
-  * [[https://manual.cp2k.org/trunk/methods/properties/optical.html| How to run a LR-TDDFT calculation for absorption and emission spectroscopy]]
-  * [[https://manual.cp2k.org/trunk/methods/xtb.html| How to run a GFN1-xTB calculation]]
-  * [[https://manual.cp2k.org/trunk/methods/machine_learning/nequip.html| How to run Nequip/Allegro calculations]]
-  * [[https://manual.cp2k.org/trunk/methods/sampling/newton-x.html| How to run NAMD computations using the CP2K/NEWTONX interface]]
 ===== Applications / Case Studies =====