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Fix module_container test dependency on DCU (#5838)
Doxygen Documentation Deployment #765: Commit 48fbc90 pushed by mohanchen
January 9, 2025 12:45 1m 15s develop
January 9, 2025 12:45 1m 15s
Refactor: make module_lr/AX a general AO-to-MO transformer (#5834)
Doxygen Documentation Deployment #764: Commit 77bad35 pushed by mohanchen
January 9, 2025 12:44 59s develop
January 9, 2025 12:44 59s
[Feature] Complete all kernels' GPU implement in blas_connector.cpp (…
Doxygen Documentation Deployment #763: Commit f4c792c pushed by mohanchen
January 9, 2025 12:42 1m 44s develop
January 9, 2025 12:42 1m 44s
Refactor:Remove the read_atom_species and add read_lattice_constant (…
Doxygen Documentation Deployment #762: Commit beeb256 pushed by mohanchen
January 9, 2025 12:41 1m 1s develop
January 9, 2025 12:41 1m 1s
Fix: dmin is replaced by dmax (#5829)
Doxygen Documentation Deployment #761: Commit 2ebc9bb pushed by Qianruipku
January 9, 2025 09:46 17m 20s develop
January 9, 2025 09:46 17m 20s
Remove TensorMap after cg call (#5797)
Doxygen Documentation Deployment #760: Commit a2ec5d1 pushed by mohanchen
January 9, 2025 01:27 16m 56s develop
January 9, 2025 01:27 16m 56s
Refactor: Use psi_initializer instead of wavefunc (#5775)
Doxygen Documentation Deployment #759: Commit 0401194 pushed by mohanchen
January 9, 2025 01:25 1m 33s develop
January 9, 2025 01:25 1m 33s
Refactor:remove MPI part funcs of ucell (#5810)
Doxygen Documentation Deployment #758: Commit 464c7a1 pushed by mohanchen
January 8, 2025 01:03 4m 40s develop
January 8, 2025 01:03 4m 40s
Refactor: external_stress in dp/lj (#5831)
Doxygen Documentation Deployment #757: Commit 8d2a79f pushed by mohanchen
January 8, 2025 00:55 3m 40s develop
January 8, 2025 00:55 3m 40s
Move force/stress precalc functions into new files and remove the glo…
Doxygen Documentation Deployment #756: Commit 8407ee9 pushed by mohanchen
January 7, 2025 01:43 4m 6s develop
January 7, 2025 01:43 4m 6s
Fix: support negative value in parse_expression (#5826)
Doxygen Documentation Deployment #755: Commit 39aab7a pushed by mohanchen
January 7, 2025 01:03 3m 53s develop
January 7, 2025 01:03 3m 53s
Tests: add checks for opening data files by hsolver tests (#5823)
Doxygen Documentation Deployment #754: Commit cdf1c04 pushed by mohanchen
January 6, 2025 13:23 7m 35s develop
January 6, 2025 13:23 7m 35s
Initial commit (#5825)
Doxygen Documentation Deployment #753: Commit 3d36512 pushed by mohanchen
January 6, 2025 13:21 1m 46s develop
January 6, 2025 13:21 1m 46s
Feature: Support machine-learning based kinetic energy density functi…
Doxygen Documentation Deployment #752: Commit 4009f6a pushed by mohanchen
January 6, 2025 12:06 15m 20s develop
January 6, 2025 12:06 15m 20s
feature: parallel solve subspace diagonalization in dav_subspace (#5549)
Doxygen Documentation Deployment #751: Commit eb19348 pushed by mohanchen
January 6, 2025 11:56 3m 42s develop
January 6, 2025 11:56 3m 42s
add const in module_lr (#5817)
Doxygen Documentation Deployment #750: Commit 706633f pushed by mohanchen
January 6, 2025 07:42 1h 2m 18s develop
January 6, 2025 07:42 1h 2m 18s
Refactor: modify decimal digit of wfc to 8 (#5820)
Doxygen Documentation Deployment #749: Commit 1b49590 pushed by mohanchen
January 6, 2025 07:41 1m 2s develop
January 6, 2025 07:41 1m 2s
Fix the Segmentation fault caused by zero atom case under LCAO basis.…
Doxygen Documentation Deployment #748: Commit 9732d79 pushed by mohanchen
January 6, 2025 07:40 53s develop
January 6, 2025 07:40 53s
Refactor: Remove global dependence of descriptor, orbital_precalc, v_…
Doxygen Documentation Deployment #747: Commit e25db6e pushed by mohanchen
January 5, 2025 11:49 7m 48s develop
January 5, 2025 11:49 7m 48s
Refactor: refactor the constructors of Psi class (#5761)
Doxygen Documentation Deployment #746: Commit 8905ddf pushed by mohanchen
January 5, 2025 11:49 1m 4s develop
January 5, 2025 11:49 1m 4s
Refactor:Remove Ucell::update_pos_taud (#5794)
Doxygen Documentation Deployment #745: Commit 4ddec65 pushed by mohanchen
January 5, 2025 04:05 3m 35s develop
January 5, 2025 04:05 3m 35s
[Feature] Add some GPU kernels to blas_connector (#5799)
Doxygen Documentation Deployment #744: Commit 9ab9150 pushed by mohanchen
January 4, 2025 09:35 7m 0s develop
January 4, 2025 09:35 7m 0s
Refactor:remove cal_tau from ElecStateLCAO (#5802)
Doxygen Documentation Deployment #743: Commit 414446a pushed by mohanchen
January 4, 2025 09:33 2m 25s develop
January 4, 2025 09:33 2m 25s
fix some warnings about esolver (#5807)
Doxygen Documentation Deployment #742: Commit 028e91d pushed by YuLiu98
January 4, 2025 04:52 11m 43s develop
January 4, 2025 04:52 11m 43s
Fix: optimize lr_spectrum (#5805)
Doxygen Documentation Deployment #741: Commit b5a5068 pushed by mohanchen
January 4, 2025 04:50 2m 13s develop
January 4, 2025 04:50 2m 13s