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Refactor: Remove C++17 syntax and optimize DMR calculation in DeePKS.… Doxygen Documentation Deployment #896: Commit e3193c8 pushed by mohanchen
4m 5s develop
develop
4m 5s
Fix: std::out_of_range of map when out_mat_t with multi-core (#6090) Doxygen Documentation Deployment #895: Commit 6207798 pushed by mohanchen
4m 10s develop
develop
4m 10s
Refactor: replace 3.14 using PI (#6085) Doxygen Documentation Deployment #894: Commit bbf41aa pushed by YuLiu98
3m 57s develop
develop
3m 57s
Fix: Sign problem in DeePKS cal_pdm(). (#6082) Doxygen Documentation Deployment #893: Commit 60a408a pushed by mohanchen
4m 18s develop
develop
4m 18s
Update ABACUS output formats, accept it after 3.10 version (#6076) Doxygen Documentation Deployment #892: Commit 35448cb pushed by mohanchen
4m 5s develop
develop
4m 5s
modify warning output (#6074) Doxygen Documentation Deployment #891: Commit 39b03c1 pushed by mohanchen
4m 10s develop
develop
4m 10s
Tests: remove mock of print func in md/esolver tests (#6073) Doxygen Documentation Deployment #890: Commit 26d8284 pushed by mohanchen
8m 31s develop
develop
8m 31s
Refactor: reduce the memory consumption of cal_gint_vlocal (#6069) Doxygen Documentation Deployment #889: Commit 2fead84 pushed by mohanchen
1m 7s develop
develop
1m 7s
fixing issue #5961 (#6071) Doxygen Documentation Deployment #888: Commit 5b19d01 pushed by mohanchen
5m 44s develop
develop
5m 44s
Refactor:Change potentials to module_pot (#6070) Doxygen Documentation Deployment #887: Commit cac78df pushed by mohanchen
2m 21s develop
develop
2m 21s
add a check before calculating EXX force (#6067) Doxygen Documentation Deployment #886: Commit e506d00 pushed by mohanchen
4m 29s develop
develop
4m 29s
Perf: optimize cal_DMR and folding_HR (#6068) Doxygen Documentation Deployment #885: Commit c12bd52 pushed by mohanchen
46s develop
develop
46s
fix an output for debug (#6066) Doxygen Documentation Deployment #884: Commit 8b24258 pushed by mohanchen
4m 11s develop
develop
4m 11s
Refactor: Remove some files in DeePKS and add some features. (#6065) Doxygen Documentation Deployment #883: Commit 391b41b pushed by mohanchen
4m 1s develop
develop
4m 1s
Feature&Docs: support the indent control on FmtTable (#6055) Doxygen Documentation Deployment #882: Commit 4adc91b pushed by mohanchen
4m 24s develop
develop
4m 24s
Feature: write Vxc(R) (#6061) Doxygen Documentation Deployment #881: Commit 2e13f9f pushed by mohanchen
2m 38s develop
develop
2m 38s
Fix: nan values in LCAO band-decomposed charge density (get_pchg) (#6… Doxygen Documentation Deployment #880: Commit cdc88cf pushed by mohanchen
2m 31s develop
develop
2m 31s
Refactor: set dm_to_rho as a new esolver (#6059) Doxygen Documentation Deployment #879: Commit ef61f00 pushed by mohanchen
1m 17s develop
develop
1m 17s
Update output formats in running.log (#6053) Doxygen Documentation Deployment #878: Commit e119b1f pushed by Qianruipku
4m 47s develop
develop
4m 47s
[Toolchain] pack-run and package url (#6051) Doxygen Documentation Deployment #877: Commit c1c0b0b pushed by mohanchen
4m 19s develop
develop
4m 19s
Refactor symmetr.cpp, update some output formats in surfchem, etc. (#… Doxygen Documentation Deployment #876: Commit 239cc0a pushed by mohanchen
4m 8s develop
develop
4m 8s
Reopen unit test for DeePKS multi-k case. (#6039) Doxygen Documentation Deployment #875: Commit 924d29d pushed by mohanchen
4m 1s develop
develop
4m 1s
Add templates for recip_to_real in the pw_basis (#6023) Doxygen Documentation Deployment #874: Commit 2610f1e pushed by mohanchen
4m 4s develop
develop
4m 4s
Fix: add the print header for cusolvermp in scf info (#6038) Doxygen Documentation Deployment #873: Commit d591a60 pushed by mohanchen
4m 18s develop
develop
4m 18s
Fix: DFT+U force&stress with of some elements are -1 (#6049) Doxygen Documentation Deployment #872: Commit bbc0a91 pushed by mohanchen
3m 3s develop
develop
3m 3s