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add LBFGS method (#6005) Doxygen Documentation Deployment #868: Commit 2b23c18 pushed by mohanchen
4m 0s develop
develop
4m 0s
Optimize: Compilation time of vdwd3_autoset_xcparam.cpp (#6042) Doxygen Documentation Deployment #867: Commit eef959d pushed by mohanchen
4m 8s develop
develop
4m 8s
exclude toolchain/install/ in .gitignore after toolchain run (#6033) Doxygen Documentation Deployment #866: Commit 7e4d663 pushed by mohanchen
4m 11s develop
develop
4m 11s
Fix: Angular momentum quantum number check in reading SOC pseudopot f… Doxygen Documentation Deployment #865: Commit 28a3540 pushed by mohanchen
1m 1s develop
develop
1m 1s
Add two LCAO base group GPU version compilation options in toolchain … Doxygen Documentation Deployment #864: Commit 76af832 pushed by mohanchen
3m 55s develop
develop
3m 55s
Update latest Intel oneAPI default compiler for cxx (#6035) Doxygen Documentation Deployment #863: Commit 65171f9 pushed by mohanchen
3m 48s develop
develop
3m 48s
Fix: Enhance the warning message when the XC name cannot be recognize… Doxygen Documentation Deployment #862: Commit fa3b783 pushed by mohanchen
5m 11s develop
develop
5m 11s
Fix: calculate magnetic moments with onsite_radius>0 (#6024) Doxygen Documentation Deployment #861: Commit bc05444 pushed by mohanchen
1m 0s develop
develop
1m 0s
Add genelpa warning if matrix is not positive definite (#6022) Doxygen Documentation Deployment #860: Commit 06df0ee pushed by mohanchen
4m 12s develop
develop
4m 12s
Refactor: math_kernel_op (#6020) Doxygen Documentation Deployment #859: Commit 0c9b227 pushed by mohanchen
1m 35s develop
develop
1m 35s
Feature: Make KG-KSDFT support GPU (#6013) Doxygen Documentation Deployment #858: Commit 8973c25 pushed by mohanchen
4m 18s develop
develop
4m 18s
[Fix] Fix DCU port compilation error (#6017) Doxygen Documentation Deployment #857: Commit 98f7a55 pushed by mohanchen
3m 32s develop
develop
3m 32s
Fix : out_mat_dh will lead to different result with MPI-1core with MP… Doxygen Documentation Deployment #856: Commit 0480f52 pushed by mohanchen
1m 8s develop
develop
1m 8s
fix the format (#6008) Doxygen Documentation Deployment #855: Commit 3d0de86 pushed by mohanchen
4m 7s develop
develop
4m 7s
test: fix Dockerfile.intel (#5999) Doxygen Documentation Deployment #854: Commit 23ee3e1 pushed by mohanchen
6m 57s develop
develop
6m 57s
Test: add test and output for dry run (#6015) Doxygen Documentation Deployment #853: Commit 9c01298 pushed by mohanchen
2m 23s develop
develop
2m 23s
Tests: one integrate test for exx pw, only for verifying whether exx … Doxygen Documentation Deployment #852: Commit 7838569 pushed by mohanchen
5m 59s develop
develop
5m 59s
Tests: Add GPU tests for out_wfc_pw & out_wfc_r (#5989) Doxygen Documentation Deployment #851: Commit 4decdac pushed by mohanchen
54s develop
develop
54s
Toolchain 202501 (#5980) Doxygen Documentation Deployment #850: Commit a295d38 pushed by mohanchen
1m 33s develop
develop
1m 33s
[Refactor] Remove my_math.hpp (#6002) Doxygen Documentation Deployment #849: Commit c93cd1a pushed by mohanchen
2m 49s develop
develop
2m 49s
v3.9.0.2 (#6007) Doxygen Documentation Deployment #848: Commit 0d9f762 pushed by mohanchen
2m 7s develop
develop
2m 7s
Doc: polish Quick Start part of online doc (#6006) Doxygen Documentation Deployment #847: Commit 586a02b pushed by dyzheng
4m 8s develop
develop
4m 8s
test: correct INPUT of examples/spin_polarized/ATOM (#5998) Doxygen Documentation Deployment #846: Commit 992f39e pushed by mohanchen
1h 0m 2s develop
develop
1h 0m 2s
Fix: One segmentation fault related to EXX PW (#5993) Doxygen Documentation Deployment #845: Commit f93b3a9 pushed by mohanchen
5m 8s develop
develop
5m 8s
Refactor: move psi init to before_all_runners (#5992) Doxygen Documentation Deployment #844: Commit f3c6cfc pushed by mohanchen
4m 10s develop
develop
4m 10s