Difference between revisions of "If you lost file min.data, but still you have points.min"
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If it happens that you lost ''min.data'', but still you have ''points.min'', do not loose your heart! Go to page [http://wwmm.ch.cam.ac.uk/wikis/cuc3/index.php/Relaxing_existing_minima_with_new_potential_and_creating_new_database], repeat steps 1-5 and file ''min.data.check'' it what you want! Just change its name. |
If it happens that you lost ''min.data'', but still you have ''points.min'', do not loose your heart! Go to page [http://wwmm.ch.cam.ac.uk/wikis/cuc3/index.php/Relaxing_existing_minima_with_new_potential_and_creating_new_database], repeat steps 1-5 and file ''min.data.check'' it what you want! Just change its name. |
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The only trouble is that to repeat procedure mentioned above, you need ''min.data'' file. Therefore take any ''min.data'' file you have (let us call it fake ''min.data'') and make sure that it has enough entries. If you are not sure how many it should be, take file with more entries than you expected. Script will fail when reach last geometry in ''points.min''. |
The only trouble is that to repeat procedure mentioned above, you need ''min.data'' file. Therefore take any ''min.data'' file you have (let us call it fake ''min.data'') and make sure that it has enough entries. If you are not sure how many it should be, take file with more entries than you expected. Script will fail when reach last geometry in ''points.min''. |
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Revision as of 19:19, 2 September 2008
If it happens that you lost min.data, but still you have points.min, do not loose your heart! Go to page [1], repeat steps 1-5 and file min.data.check it what you want! Just change its name.
The only trouble is that to repeat procedure mentioned above, you need min.data file. Therefore take any min.data file you have (let us call it fake min.data) and make sure that it has enough entries. If you are not sure how many it should be, take file with more entries than you expected. Script will fail when reach last geometry in points.min.