Differences

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--- tools:pycp2k [2015/06/18 05:46] – created 130.233.204.250
+++ tools:pycp2k [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ Line 12: / Line 12: @@
      * Structure creation and loading with ASE.
      * Easily extract results from the output file with predefined functions or with custom regular expressions.
-     * Autocompletion if provided by your IDE (tested with Spyder).
+     * Autocompletion if provided by your IDE (tested with VIM plugin YouCompleteMe and the Spyder IDE)
-     * Built-in documentation for all keywords and sections (with Spyder you can access documentation by control-clicking the variable names).
+     * There are lots of python libraries (numpy, scipy, matplotlib, etc.) to also analyze the results - all with python.
-     * Use additional python libraries (numpy, scipy, matplotlib, etc.) to also analyze the results - all with python.
-Technically the interfacing to CP2K happens simply by writing CP2K input files and reading the output files. There is no direct interface to the fortran code (i.e. F2PY not used).
+Technically the interfacing to CP2K happens simply by writing CP2K input files and reading the output files. There is no direct interface to the fortran code.
+{{ :tools:example.gif |}}
 For more information visit the [[https://github.com/SINGROUP/pycp2k |PYCP2K project page]]