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chimie4psmn / database / import_vasp_calc

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  • svn:executable: *
# Date Auteur Commentaire
57 15/10/2018 13:33 Tao Jiang

fixing of bugs
50 06/10/2017 16:51 Tao Jiang

added content in xc table and support of reading POSCAR.gz and POSCAR.bz2
48 02/10/2017 12:56 Tao Jiang

changind default number of cpus to be used
47 02/10/2017 11:23 Tao Jiang

minor update of arguments
45 29/09/2017 16:05 Tao Jiang

now one can define the user key (for importing calculation for someone else), and the calculator is corrected. This change only works with tjiang's own hacked version of ase
40 21/09/2017 15:32 Tao Jiang

now that multithread is by files, instead of path
38 20/09/2017 15:35 Tao Jiang

a script for using fugue as back up solution for Mac os machines.
37 14/09/2017 15:37 Tao Jiang

multithread support
36 01/09/2017 16:37 Tao Jiang

start adding multithread support (unfinished)
35 29/08/2017 14:22 Tao Jiang

use filename to prevent importing archived calculations
34 23/08/2017 11:46 Tao Jiang

create stand alone script for importing vasp calculations and build argparser