Revision:

Revisions

# Date Author Comment
57 10/15/2018 01:33 pm Tao Jiang

fixing of bugs

56 07/24/2018 12:01 pm Tao Jiang

add auto detection of the instruction set to decide which binary to use

55 07/23/2018 03:38 pm Tao Jiang

add submission scripts

54 07/23/2018 03:37 pm Tao Jiang

add submission scripts

53 07/23/2018 03:30 pm Tao Jiang

adding vasp submission script

52 04/06/2018 08:35 pm Stephan Steinmann

I cannot make it private -- beats the purpose

51 04/06/2018 08:18 pm Stephan Steinmann

Trying to add a folder with manuscripts. Might require improvements

50 10/06/2017 04:51 pm Tao Jiang

added content in xc table and support of reading POSCAR.gz and POSCAR.bz2

49 10/04/2017 03:03 pm Tao Jiang

I suspect that turning on TM with remote volumn on fugue may result in conflict with dhcp process, and cause a daily crash when first wake up mac at ens, therefore I added function that will turn off TM after a successful backup

48 10/02/2017 12:56 pm Tao Jiang

changind default number of cpus to be used

47 10/02/2017 11:23 am Tao Jiang

minor update of arguments

46 09/29/2017 04:19 pm Tao Jiang

gaussian calculation importer

45 09/29/2017 04:05 pm 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

44 09/27/2017 03:57 pm Tao Jiang

just a test

43 09/27/2017 03:57 pm Tao Jiang

just a test

42 09/27/2017 03:56 pm Tao Jiang

script for importing gaussian calculations, unfinished.

41 09/21/2017 04:37 pm Tao Jiang

minor changes

40 09/21/2017 03:32 pm Tao Jiang

now that multithread is by files, instead of path

39 09/21/2017 01:55 pm Tao Jiang

changing file name and adding instruction

38 09/20/2017 03:35 pm Tao Jiang

a script for using fugue as back up solution for Mac os machines.

37 09/14/2017 03:37 pm Tao Jiang

multithread support

36 09/01/2017 04:37 pm Tao Jiang

start adding multithread support (unfinished)

35 08/29/2017 02:22 pm Tao Jiang

use filename to prevent importing archived calculations

34 08/23/2017 11:46 am Tao Jiang

create stand alone script for importing vasp calculations and build argparser

33 08/22/2017 04:30 pm Tao Jiang

add gz file support

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