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chimie4psmn

Name Size Revision Age Author Comment
  analysis 11 over 4 years Rodrigo Ferreira De Morais Correting the number of parameters to print the...
  conversion 14 over 4 years Benjamin Schweitzer Conversion scripts (i.e : .xyz file to POSCAR f...
  database 57 about 2 years Tao Jiang fixing of bugs
  md 30 over 3 years Tao Jiang Initial structure for testing bm.py
  meetings 13 over 4 years Benjamin Schweitzer Resume of the first meeting, April 25th 2016
  msc 49 about 3 years Tao Jiang I suspect that turning on TM with remote volumn...
  submit 56 over 2 years Tao Jiang add auto detection of the instruction set to de...
test.txt 45 Bytes 8 over 4 years Lois Taulelle Moar tests.

Latest 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

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