restarting
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| restarting [2014/02/08 22:50] – converted from doc/tutorialCp2k.html, Credit: Fawzi Mohamed oschuett | restarting [2014/02/09 14:02] – oschuett | ||
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| ====== Restarting ====== | ====== Restarting ====== | ||
| - | The files to restart a trajectory in cp2k are just input files with all the defaults made explicit. So it should not be so difficult to understand them. | + | The files to restart a trajectory in cp2k are just [[input_file|input files]] with all the defaults made explicit. So it should not be so difficult to understand them. |
| Often one whats to continue a trajectory with slightly different parameters, for example of an equilibration run followed by a NVE run, and having to edit the restart file is not so practical, and cannot be prepared before the previous run has finished. To make this easier one can prepare the input that takes part of its values from another input. In particular it might take positions and velocities from an external input. | Often one whats to continue a trajectory with slightly different parameters, for example of an equilibration run followed by a NVE run, and having to edit the restart file is not so practical, and cannot be prepared before the previous run has finished. To make this easier one can prepare the input that takes part of its values from another input. In particular it might take positions and velocities from an external input. | ||
restarting.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1