Commit Graph

Select branches

Hide Pull Requests

develop

develop_omp5

kpoints

master

mixed-precision

sabyadk/fix_install_EPW

PW-1.2.0

PW-1.3.0

PW-1.3.1

qe-5.0

qe-5.0.1

qe-5.0.2

qe-5.1.0

qe-5.1.1

qe-5.1.2

qe-5.2.0

qe-5.2.1

qe-5.3

qe-5.4

qe-6.0.0

qe-6.1.0

qe-6.2.0

qe-6.2.1

qe-6.3

qe-6.3MaX

qe-6.4

qe-6.4.1

qe-6.5

qe-6.5MaX

qe-6.6

qe-6.7MaX-Release

qe-6.8

qe-7.0

qe-7.0-rc1

qe-7.1

qe-7.1-rc2

qe-7.1rc

qe-7.2

qe-7.2-omp5

qe-7.2-omp5-1.0

qe-7.2-omp5-1.1-before_merge

qe-7.2rc

qe-7.3

qe-7.3.1

qe-7.3.1-devel

qe.6.3-rc2

Mono Color

• a20cab7603 Merge branch 're-order' into 'develop' giannozz 2024-09-19 14:10:19 +0000
• 26da00e6be Merge branch 'develop' into 'develop' YI Zeping 2024-09-19 11:29:05 +0000
• dfa4b5a265 Merge branch 'orbital-resolved-U-NC' into 'develop' MackeEric 2024-09-19 07:50:47 +0000
• a6ff7b6679 Merge branch 'XClib_some_updates' into 'develop' Fabrizio Ferrari 2024-09-19 00:43:46 +0000
• ea47bc7b86 Merge branch 'sabyadk/fix_install_EPW' into 'develop' Sabyasachi Tiwari 2024-09-18 23:35:28 +0000
• b9dc111bb4 sync with develop sabyadk/fix_install_EPW sabyadk 2024-09-18 18:32:05 -0500
• 0114bdbf05 fixed EPW compilation sabyadk 2024-09-18 18:29:19 -0500
• a913602e2b Merge branch 'afonari-develop-patch-97312' into 'develop' afonari 2024-09-18 22:52:17 +0000
• bd0cc5b02e Merge branch 'features/magnetic_symmetry_method1' into 'develop' Ryota Masuki 2024-09-18 22:52:16 +0000
• 3891413d62 Merge branch 'update-configure-for-hdf5' into 'develop' develop Ye Luo 2024-09-18 22:08:13 +0000
• 0748c6a4bc Merge branch 'update-configure-for-hdf5' into 'develop' Ye Luo 2024-09-18 22:00:30 +0000
• 081409ea90 Update configure after !2427 Ye Luo 2024-09-18 16:43:35 -0500
• 0489978553 Revert change from !2424 Ye Luo 2024-09-18 16:41:23 -0500
• e9207f6652 Merge branch 'check_irrep_out-of-bounds' into 'develop' Pietro Delugas 2024-09-18 12:49:24 +0000
• 06aaeff8cc Update summary.f90 Dump positional atom constraints in the output afonari 2024-09-18 12:31:34 +0000
• 64c5497ff0 test-suite - pw_libxc tests added fabrizio22 2024-09-18 14:10:12 +0200
• 3d62050504 noncollinear stres_us - nvhpc24.3 comp. fix fabrizio22 2024-09-18 13:54:16 +0200
• a4d70a3188 XClib - xclib_test minor fixes fabrizio22 2024-09-18 12:28:46 +0200
• 2350ed3e27 Merge branch 'check_irrep_out-of-bounds' into 'develop' Pietro Delugas 2024-09-18 09:11:52 +0000
• c76d199450 fix: avoid out-of-bounds caused by wrong or malitious start_irr in ph input Pietro Delugas 2024-09-18 11:04:48 +0200
• 4b27d8e19f Merge branch 'scalapack_needed' into 'develop' giannozz 2024-09-18 07:05:18 +0000
• 6dde141960 Merge branch 'sabyadk/fix_non_MPI' into 'develop' Ye Luo 2024-09-18 00:29:55 +0000
• ad3e4b6712 fixing non-MPI build issues with EPW Sabyasachi Tiwari 2024-09-18 00:29:55 +0000
• 1cd89233e1 Merge branch 'sabyadk/fix_non_MPI' into 'develop' Sabyasachi Tiwari 2024-09-18 00:05:33 +0000
• 9b0feccdd9 fixing non-MPI build issues sabyadk 2024-09-17 19:01:45 -0500
• 2215227ab8 Merge branch 'develop' into 'develop' Lorenzo Paulatto 2024-09-17 12:40:37 +0000
• be053d52f3 Merge branch 'offload_dynmat0' into 'develop' Laura Bellentani 2024-09-17 10:36:48 +0000
• 661774209f Merge branch 'sabyadk/EPWv5.9_small_fix' into 'develop' giannozz 2024-09-17 06:08:39 +0000
• c4070dbcb6 Merge branch 'sabyadk/EPWv5.9_small_fix' into 'develop' Sabyasachi Tiwari 2024-09-16 22:30:50 +0000
• be6d5d7eff small fix in EPW/src/io/io for serial compilation Sabyasachi Tiwari 2024-09-16 17:29:18 -0500
• 3b91c67558 Merge branch 'sabyadk/EPWv5.9_small_fix' into 'develop' Sabyasachi Tiwari 2024-09-16 22:18:59 +0000
• 81498fd001 small fix 1.0 Sabyasachi Tiwari 2024-09-16 17:18:22 -0500
• 89e6ce839c small fix for serial compilation of EPW Sabyasachi Tiwari 2024-09-16 17:12:12 -0500
• 884f68d9a8 sync with develop Sabyasachi Tiwari 2024-09-16 17:04:44 -0500
• 7fe2139efe XClib - remove doubles for non-libxc calls (MGGA) fabrizio22 2024-09-16 12:42:21 +0200
• c4e1422129 XClib - remove doubles for non-libxc calls (GGA) fabrizio22 2024-09-16 12:39:58 +0200
• 273cf6cefb XClib - remove doubles for non-libxc calls (LDA) fabrizio22 2024-09-16 12:38:15 +0200
• 3c89d919d8 Merge branch 'sabyadk/EPW_5.9' into 'develop' giannozz 2024-09-15 16:41:41 +0000
• 596a99433f EPWv5.9 Sabyasachi Tiwari 2024-09-15 16:41:41 +0000
• 24a1851c96 Merge branch 'sabyadk/EPW_5.9' into 'develop' Sabyasachi Tiwari 2024-09-15 06:16:01 +0000
• df69f849c1 Merge branch 'smallfixed' into 'develop' giannozz 2024-09-14 15:48:15 +0000
• b4c0624416 Merge branch 'smallfixed' into 'develop' giannozz 2024-09-14 15:25:32 +0000
• e97ce9d444 Another attempt to get rid of bogus test-suite errors Paolo Giannozzi 2024-09-14 17:25:02 +0200
• 619140fcbe Tolerance on final volume slighty increased Prevent bogus failure in pw_workflow_vc-relax_scf/ on buildbot Paolo Giannozzi 2024-09-14 16:57:45 +0200
• a5088552b2 Another misspell Paolo Giannozzi 2024-09-14 16:42:12 +0200
• 0c2f25bfe6 Misspells Paolo Giannozzi 2024-09-14 16:36:39 +0200
• 6643cfdc85 Documentation improved Paolo Giannozzi 2024-09-14 16:36:16 +0200
• f16a09d2ec Merge branch 'ahc_bugfix' into 'develop' giannozz 2024-09-14 08:21:11 +0000
• c236a2541a Merge branch 'PierreSimon' into 'develop' Pietro 2024-09-13 12:15:32 +0000
• 5fd27a6eee Merge branch 'ahc_bugfix' into 'develop' Jae-Mo Lihm 2024-09-12 19:57:29 +0000
• 8e48faf465 Merge branch 'sumpdos' into 'develop' giannozz 2024-09-12 19:56:12 +0000
• 5a493115f7 Merge branch 'sumpdos' into 'develop' giannozz 2024-09-12 19:55:54 +0000
• c125fba6f2 Merge branch 'afonari-develop-patch-21609' into 'develop' giannozz 2024-09-12 19:55:47 +0000
• 0c80305fa4 Do not open so many files in sumpdos Fixes #518. Also: added possibility to specify Ef at run-time. The format of PDOS files is quite primitive unfortunately so the code is clumsy Paolo Giannozzi 2024-09-12 20:00:32 +0200
• d75723c069 Merge branch 'afonari-develop-patch-21609' into 'develop' afonari 2024-09-12 17:26:25 +0000
• 8ba6b64a65 Merge branch q-e:develop into afonari-develop-patch-21609 afonari 2024-09-12 17:25:10 +0000
• 485961b8fc Update cube.f90. Write correct atomic numbers in the CUBE output afonari 2024-09-12 17:24:22 +0000
• 26b8b5fcfd Fix bug in ahc.f90. Move errore call inside root_pool block. Jae-Mo Lihm 2024-09-12 16:33:29 +0200
• 306f867449 Merge branch 'gpu+ph+nlcc' into 'develop' giannozz 2024-09-12 06:34:53 +0000
• 8a45713e00 Merge branch 'wfpt_fix' into 'sabyadk/EPW_5.9' Sabyasachi Tiwari 2024-09-12 00:06:07 +0000
• a784329e52 Bugfix in WFPT. cryst_to_cart was missing. ephwan2bloch requres Cartesian q Jae-Mo Lihm 2024-09-12 00:06:07 +0000
• c5b0519d65 Merge branch 'wfpt_fix' into 'sabyadk/EPW_5.9' Jae-Mo Lihm 2024-09-11 22:40:06 +0000
• 9842d41fd0 Merge remote-tracking branch 'tmp1/develop' into wfpt_fix Jae-Mo Lihm 2024-09-12 00:39:39 +0200
• 75c7f6c6a2 Update tests after EPW WFPT bugfix Jae-Mo Lihm 2024-09-11 23:58:52 +0200
• af5425b24e Bugfix in WFPT. cryst_to_cart was missing. ephwan2bloch requres Cartesian q Jae-Mo Lihm 2024-09-11 23:35:28 +0200
• c23a1846b4 Merge branch 'gpu+ph+nlcc' into 'develop' giannozz 2024-09-11 14:39:54 +0000
• 17d25d6110 NLCC+NCPP+GPU problem hopefully fixed. Still to be clarified: why on earth is the NLCC+USPP case different? Paolo Giannozzi 2024-09-11 16:38:10 +0200
• 9671c4a34d Missing "acc exit data delete" Fix error causing test ph_2d to crash on GPUs after MR !2421. Code does not crash any longer but effective charges are still wrong. Apparently related to NLCC and GPUs Paolo Giannozzi 2024-09-11 12:06:44 +0200
• 09f5711d95 Merge branch 'develop' into features/magnetic_symmetry_method1 Ryota MASUKI 2024-09-10 19:39:08 +0200
• d6aab0de3f Merge branch 'update-mbd' into 'develop' Ye Luo 2024-09-10 14:20:17 +0000
• d1b2564a1d Merge branch 'update-mbd' into 'develop' Ye Luo 2024-09-10 14:19:49 +0000
• 31bf74ab3e Update qeHelpers.cmake Ryota MASUKI 2024-09-10 15:42:38 +0200
• 03c2022e90 Update mbd hash. Ye Luo 2024-09-10 08:11:37 -0500
• 52fc4fbd12 Merge branch 'develop' into features/magnetic_symmetry_method1 Ryota MASUKI 2024-09-10 10:54:20 +0200
• 14c273b78f Merge branch q-e:develop into orbital-resolved-U-NC MackeEric 2024-09-10 08:53:47 +0000
• daa425723a Copy new .gitlab-ci.yml and .gitlab-ci-main.yml from develop branch. rmasuki 2024-09-10 09:53:28 +0200
• a34ce54048 Merge branch 'develop' into 'develop' giannozz 2024-09-09 16:51:51 +0000
• f50bd6db40 Fixing issues with occupation printing in LR-cDFT emacke@uni-bremen.de 2024-09-09 16:29:14 +0200
• 77df8ab1e7 Merge branch 'develop' into 'develop' Zhe Liu 2024-09-08 04:10:05 +0000
• 11a6bccb48 fix Root Tag when read dyn or fc files in xml format zheliu137 2024-09-07 23:40:50 -0400
• 85a5cd815f removal of (non)-changes in PP and PW Sabyasachi Tiwari 2024-09-05 12:19:30 -0500
• 9d9105595a removal of CR/LF characters in ZG/src/pp_spectrlfn.f90 Sabyasachi Tiwari 2024-09-05 11:32:29 -0500
• 2a5cebd9ca sync with develop and merge-conflict resolved in EPW/src/dvqpsi.f90 Sabyasachi Tiwari 2024-09-04 12:15:44 -0500
• cf39c9f9d8 Merge branch 'lr_nlcc' into 'develop' giannozz 2024-09-03 05:59:22 +0000
• 32b9f262f0 Merge branch 'reduce_wait_openacc' into 'develop' Laura Bellentani 2024-09-03 05:57:06 +0000
• 2249e5e536 Merge branch 'reduce_wait_openacc' into 'develop' giannozz 2024-09-03 05:55:34 +0000
• 465f3c6082 Merge branch 'too-many-dev-null' into 'develop' giannozz 2024-09-03 05:54:42 +0000
• 1dc3237450 Too many redirections to /dev/null Funny error for a largish system of 200 atoms when writing partial DOSes, apparently due to too many redirections to /dev/null! Paolo Giannozzi 2024-09-02 13:18:22 +0200
• a7238cc0c2 Fix gpu problem in compute_dvloc Jae-Mo Lihm 2024-08-30 20:55:29 +0200
• c51737acfa Merge branch 'feature/hdf5-space-stripping' into 'develop' giannozz 2024-08-29 17:52:26 +0000
• 4a62a40390 Ensure no space in hdf5_libs variable Etienne Malaboeuf 2024-08-29 15:56:56 +0200
• f14a94d8fd Merge branch 'afonari-develop-patch-31461' into 'develop' giannozz 2024-08-28 18:10:26 +0000
• 514ae19c44 Merge branch 'develop' of https://gitlab.com/epw/q-e into sabyadk/EPW_5.9 Sabyasachi Tiwari 2024-08-28 10:53:23 -0500
• eeabbe34fc added the fix from MR 2405 Sabyasachi Tiwari 2024-08-28 10:52:09 -0500
• a9e81799cc Merge branch 'fix-KS' into 'develop' Ye Luo 2024-08-28 01:23:06 +0000
• b8b129c43c Fix hang in RMM/ParO related to device_resident Ye Luo 2024-08-27 20:20:01 -0500
• 4343c2630b Merge branch 'hm/out_cube' into 'develop' Sabyasachi Tiwari 2024-08-28 00:34:32 +0000
• 02bb64fe46 Fixed the remaining issues with the output of cube files. Hitoshi Mori 2024-08-28 00:34:32 +0000
• 9f5a703bbd Merge branch 'fix-KS' into 'develop' Ye Luo 2024-08-27 23:37:26 +0000
• 58e47b28bc Fix hang in CG/PPCG related to device_resident Ye Luo 2024-08-27 18:25:31 -0500