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nelsyeung / bgwgen
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Repo Added 17 May 2018 03:33PM UTC
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nelsyeung
Make wf_collect true override and remove scf flags

- wf_collect is only true on the latest master branch, it is much safer
  to include it explicitly in the input files.

- The forces and stress are not needed for SCF calculation.

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Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
31 master Make wf_collect true override and remove scf flags - wf_collect is only true on the latest master branch, it is much safer to include it explicitly in the input files. - The forces and stress are not needed for SCF calculation. push 22 Sep 2018 11:27AM UTC nelsyeung travis-ci pending completion  
30 master Update bgw linkfiles to include 5-inteqp push 09 Jul 2018 02:30PM UTC nelsyeung travis-ci pending completion  
29 master Update epsilon setup to create epsmat links push 09 Jul 2018 02:13PM UTC nelsyeung travis-ci pending completion  
28 master Fix sigma merge script push 09 Jul 2018 01:54PM UTC nelsyeung travis-ci pending completion  
27 master Update sigma to create setup script instead - The 0-setup.sh file reads a kpoints file to generate inputs for each k-point separately. - The 2-merge.sh file concatenate all the eqp0.dat and eqp1.dat files from separate k-points folder. - This... push 08 Jul 2018 05:44PM UTC nelsyeung travis-ci pending completion  
26 master Rename tests bgw and qe folder push 07 Jul 2018 04:59PM UTC nelsyeung travis-ci pending completion  
25 master Update epsilon to create 0-setup.sh instead - The 0-setup.sh file reads a kgrid file to generate input files for each k-point separately. - This is simply a better way to run epsilon, since it can be continued. push 07 Jul 2018 04:57PM UTC nelsyeung travis-ci pending completion  
24 master Don't copy templates when templates doesn't exist - If the user doesn't have a templates folder it used to error out push 06 Jul 2018 03:38PM UTC nelsyeung travis-ci pending completion  
23 master Add bandstructure calculation push 06 Jul 2018 03:09PM UTC nelsyeung travis-ci pending completion  
22 master Add derived settings for bgw and update readme - Sigma band index are now derived from pp_in - Absorption number bands coarse are now derived from kernel - Readme now shows the settings that are derived push 06 Jul 2018 10:50AM UTC nelsyeung travis-ci pending completion  
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