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chimie4psmn

Nom Taille Révision Âge Auteur Commentaire
  analysis 11 environ 2 ans Rodrigo Ferreira De Morais Correting the number of parameters to print the...
  conversion 14 environ 2 ans Benjamin Schweitzer Conversion scripts (i.e : .xyz file to POSCAR f...
  database 50 9 mois Tao Jiang added content in xc table and support of readin...
  md 30 environ un an Tao Jiang Initial structure for testing bm.py
  meetings 13 environ 2 ans Benjamin Schweitzer Resume of the first meeting, April 25th 2016
  msc 49 10 mois Tao Jiang I suspect that turning on TM with remote volumn...
  submit 27 plus d'un an Tao Jiang job release script
test.txt 45 octet 8 environ 2 ans Lois Taulelle Moar tests.

Dernières révisions

# Date Auteur Commentaire
52 06/04/2018 20:35 Stephan Steinmann

I cannot make it private -- beats the purpose

51 06/04/2018 20:18 Stephan Steinmann

Trying to add a folder with manuscripts. Might require improvements

50 06/10/2017 16:51 Tao Jiang

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

49 04/10/2017 15:03 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 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

46 29/09/2017 16:19 Tao Jiang

gaussian calculation importer

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

44 27/09/2017 15:57 Tao Jiang

just a test

43 27/09/2017 15:57 Tao Jiang

just a test

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