scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
18,368 Commits 5 Branches 40 Tags 1.8 GiB
Commit Graph

19 Commits

Author SHA1 Message Date
Daniele Cesarini 881091bb18 Removed submodule iotk 2020-09-29 18:11:31 +02:00
Federico Ficarelli 9d3e23c96c Ignore Visual Studio Code project directory 2020-09-29 18:11:29 +02:00
Federico Ficarelli b2b0f0d376 Enable LAPACK vendoring via git submodule 2020-09-29 18:11:29 +02:00
Federico Ficarelli 7b65ae5ecc Ignore CMake build directory 2020-09-29 18:11:29 +02:00
Federico Ficarelli 48948a4fab Ignore all generated sources 2020-09-29 18:11:29 +02:00
Federico Ficarelli aa7274e549 Ignore Visual Studio Code project directory 2020-09-29 18:11:28 +02:00
Federico Ficarelli 561f26a2f1 Enable LAPACK vendoring via git submodule 2020-09-29 18:11:28 +02:00
Federico Ficarelli c1130d2c0e Ignore CMake build directory 2020-09-29 18:11:28 +02:00
Federico Ficarelli 9cb0689865 Ignore all generated sources 2020-09-29 18:11:28 +02:00
Giovanni Pizzi 5d8abd4a57 Added contribution by Hyungjun Lee 
For full discussion and a working test/example,
see PR 295 on the Wannier90 repository:
https://github.com/wannier-developers/wannier90/pull/295

Additionally, I am adding to the gitignore one set of files
that is created by some compilers on Mac OS X.

Message from the original PR, by Hyungjun Lee:

This commit does the following three things:
(1) Fix the bug in the subroutine of compute_orb for the case with exclude_bands enabled.
(2) Modify the subroutine of compute_orb so as to avoid the unnecessary forward (inverse) FFTs.
(see #211)
(3) Additional minor modifications.

PS) Currently, compute_orb can't deal with the case with ultrasoft PPs and PAWs. However, even in the case using norm-conserving PPs, we have to maintain the storage for beta functions since non-local potential terms are calculated in h_psi.
 2020-02-17 08:45:41 +01:00
Pietro 9373181df4 Adding GPU subroutines to LAXlib 2020-02-05 15:57:05 +00:00
Samuel Ponce 2d303c407b Cleaning of EPW. 2019-09-10 17:16:15 +01:00
Paolo Giannozzi ae635622db Added compiled documentation files in *.pdf. *txt, *html format. 
Since github and gitlab just distribute a snapshot of the git repository,
these files must be in the repository as well. NOTA BENE:
All changes MUST GO TO *.tex or *.def FILES, NOT to these files!
Also note that the "make doc" machinery produces also *.xml files and
latex2html converted html versions of latex files. I don't think they belong
to the repository (latex files should maybe be replaced by md files)
 2018-06-22 17:41:44 +02:00
Lorenzo Paulatto 81c1b30d7c Example for using wannier90 with open_grid.x, bypassing the nscf calculation 2018-04-04 20:06:30 +00:00
Paolo Giannozzi 8dbf4faf0d Removed the no longer working machinery that saved svn revision information 
into version.f90. No idea how to adapt it to git.
 2018-02-15 09:39:31 +01:00
Pietro Delugas 0754a1d607 added more disposable files to gitignore 2018-01-26 09:31:49 +01:00
Stefano de Gironcoli 23893921e1 ignore test.out.* and test.err.* intest-suite when listing modified/untracked files 2018-01-24 10:04:08 +01:00
Lorenzo Paulatto (naquite) 21b434d87e Added FoX and Modules/version.f90 2017-12-13 20:23:36 +01:00
giannozz 52dfdaeb56 Upon suggestion of Nicola Mounet et al. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13305 c92efa57-630b-4861-b058-cf58834340f0
 2017-02-12 18:46:41 +00:00