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31 Commits

Author SHA1 Message Date
Ivan Carnimeo 671cf7d9be Merge branch 'develop_omp5' into develop 2024-07-22 15:50:54 +03:00
Jae-Mo Lihm 103fecd561 Remove remaining make.depend from git. 2024-04-10 20:35:25 +00:00
Giacomo Rossi a985eecd97 small mod in gitignore and makedeps 2023-01-23 14:51:05 +01:00
Paolo Giannozzi f161ba0860 configure script fixed 
make.depend added to .gitignore (not sure how correctly, though)
 2021-10-25 06:51:04 +02:00
Pietro Delugas 2af7d4fa07 moving gram schmidt and rotate routined to dense 
* complete the move of various files from in KS_Solvers/DENSE
* define an interface for rotate routines and an header file
* still to do unify the many rotate routines in the KS_Solvers/DENSE
 2021-09-26 20:07:50 +02:00
Jae-Mo Lihm e59e176fcd Revert "Merge branch 'revert-c395d46c' into 'develop'" 
This reverts commit 194acab48e, reversing
changes made to c395d46c8d.
 2021-04-03 12:26:30 +09:00
Pietro Delugas 78fc480a78 Revert "Merge branch 'commutator' into 'develop'" 
This reverts merge request !1368
 2021-04-02 16:03:58 +00:00
Jae-Mo Lihm 90c1c97eb8 Add tags to gitignore 2021-04-01 18:46:24 +09:00
Andrea Ferretti 9a69f149b9 more files related to PP moved from PW/src to upflib 2021-02-15 10:09:20 +01:00
Andrea Ferretti f385a3e805 c_defs.h -> qe_cdefs.h 2021-02-13 17:43:13 +01:00
Andrea Ferretti 13c2dfc43e updated 2021-02-13 17:42:43 +01:00
Ye Luo 644ae7cd68 Expand .gitignore 2021-01-24 11:06:33 -06:00
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