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Fix part of 6608: Make IO output self-describing: running-log message… Container #3921: Commit 53a0386 pushed by mohanchen
Queued develop
develop
Queued
refactor(ofdft): replace raw kernel_ pointers with std::vector in KED… Container #3920: Commit 17a7140 pushed by mohanchen
1h 1m 34s develop
develop
1h 1m 34s
refactor(cell): split unitcell.cpp into index/stats/setup files (#8115) Container #3919: Commit 1988c0a pushed by mohanchen
5m 29s develop
develop
5m 29s
fix(esolver): sort DeePMD MD neighbors by distance (#8104) Container #3918: Commit f2160f6 pushed by mohanchen
59m 16s develop
develop
59m 16s
fix: prevent integer overflow in Psi offsets (#8107) Container #3917: Commit fc16d95 pushed by mohanchen
3m 57s develop
develop
3m 57s
refactor(cell): replace new[]/delete[] with std::vector in Symmetry (… Container #3916: Commit e9424f2 pushed by mohanchen
2m 41s develop
develop
2m 41s
Fix divergent energies during EXX cell relaxation (#8099) Container #3915: Commit 88947f5 pushed by mohanchen
9m 23s develop
develop
9m 23s
Fix: Output dipole moments in Cartesian coordinates for arbitrary lat… Container #3914: Commit 2b1f41e pushed by mohanchen
14m 23s develop
develop
14m 23s
Refactor Parallel_Grid::init into serial/parallel subroutines (#8111) Container #3913: Commit 21eb4a9 pushed by mohanchen
2m 59s develop
develop
2m 59s
refactor(cell): replace new[]/delete[] with std::vector in SepPot (#8… Container #3912: Commit c6c65f8 pushed by mohanchen
1m 35s develop
develop
1m 35s
Fix #8091: Test: split catch_properties.sh into modular validation co… Container #3911: Commit 97697c2 pushed by mohanchen
41m 28s develop
develop
41m 28s
fix: refresh periodic ghost image shifts with skin (#8102) Container #3910: Commit 0836dce pushed by mohanchen
49m 50s develop
develop
49m 50s
Fix #5021 #5939: warn on ignored x/y magnetization and remove nspin=4… Container #3909: Commit 40f925a pushed by mohanchen
2m 53s develop
develop
2m 53s
Refactor: split ri_util.hpp into .h/.cpp and rename elpa_generic.hpp … Container #3908: Commit 729529c pushed by mohanchen
53m 15s develop
develop
53m 15s
ci: keep performance benchmarks out of CI (#8101) Container #3907: Commit 9bbdc68 pushed by mohanchen
3m 14s develop
develop
3m 14s
test: avoid redundant CI runs and radial array copies (#8100) Container #3906: Commit 8174443 pushed by mohanchen
8m 46s develop
develop
8m 46s
Feature: Add orthonormalization for PW RT-TDDFT (#8085) Container #3905: Commit 1d4ac5f pushed by mohanchen
21m 18s develop
develop
21m 18s
Add DSP Lapack support (#8097) Container #3904: Commit 4c69130 pushed by mohanchen
33m 10s develop
develop
33m 10s
Diagnose #7794: diagnose: preserve failure evidence for ASE plugin CI… Container #3903: Commit 260139d pushed by mohanchen
1h 40m 27s develop
develop
1h 40m 27s
Fix #8051: update round-trip parsing, missing-property handling, and … Container #3902: Commit 5ab81a0 pushed by mohanchen
6m 31s develop
develop
6m 31s
Fix #6546: Output relaxation information in running log (#8067) Container #3901: Commit 63e9353 pushed by mohanchen
47m 57s develop
develop
47m 57s
Refactor: convert headers to include guards and split .hpp implementa… Container #3900: Commit fe72269 pushed by mohanchen
44m 35s develop
develop
44m 35s
Fix #8010: Plane-wave basis header dependencies (#8060) Container #3899: Commit aa5ca71 pushed by mohanchen
37m 58s develop
develop
37m 58s
Fix#7687 refactor: remove dead EXX_DEV code and out_mat_dh_exx input … Container #3898: Commit 4858be6 pushed by mohanchen
17s develop
develop
17s
Fix #7426: tests: consolidate and rename 01_PW integration cases, ren… Container #3897: Commit 09cbf1e pushed by mohanchen
35s develop
develop
35s