Refactor the test directory of 02_NAO_Gamma and 03_NAO_multik, enable two parameters input of 'out_pot' parameter#6973

Open

mohanchen wants to merge 86 commits intodeepmodeling:developfrom

mohanchen:20260221-directories-b

Commits on Jan 23, 2026

Refactor: Encapsulate timer functionality in timer_wrapper.h
abacus_fixer
committed
Refactor timer code and clean_esolver function
abacus_fixer
committed

Commits on Jan 24, 2026

Merge branch 'develop' of github.com:mohanchen/abacus-mc into develop
abacus_fixer
committed

Commits on Jan 27, 2026

Commits on Jan 28, 2026

Commits on Jan 31, 2026

Merge branch 'deepmodeling:develop' into develop
mohanchen
authored

Commits on Feb 1, 2026

Merge branch 'deepmodeling:develop' into develop
mohanchen
authored
add module_energy directory
abacus_fixer
committed

Commits on Feb 2, 2026

Merge branch 'deepmodeling:develop' into develop
mohanchen
authored

Commits on Feb 3, 2026

updates
abacus_fixer
committed
Rename json_output to module_json and move para_json files, update include paths
abacus_fixer
committed

Commits on Feb 7, 2026

Commits on Feb 8, 2026

fix bugs related to libxc
abacus_fixer
committed
fix
abacus_fixer
committed
fix
abacus_fixer
committed
fix several CMakeLists
abacus_fixer
committed
update CMake and other test files
abacus_fixer
committed
Merge branch 'deepmodeling:develop' into develop
mohanchen
authored
update cmakelists
abacus_fixer
committed
Merge branch 'develop' of github.com:mohanchen/abacus-mc into develop
abacus_fixer
committed
solve conflict
abacus_fixer
committed
fix bugs
abacus_fixer
committed
Fix: Correct para_json.cpp path in test CMakeLists.txt
abacus_fixer
committed
fix cmake
abacus_fixer
committed
fix
abacus_fixer
committed
fix
abacus_fixer
committed
fix
abacus_fixer
committed
fix
abacus_fixer
committed
fix
abacus_fixer
committed
json!
abacus_fixer
committed
small updates of mulliken file format
abacus_fixer
committed
update mulliken charge output nspin=1
abacus_fixer
committed

Commits on Feb 14, 2026

Fix: Create symbolic link 'abacus' for test compatibility
abacus_fixer
committed

Commits on Feb 20, 2026

Merge branch 'deepmodeling:develop' into develop
mohanchen
authored
Merge branch '20260214' into develop
abacus_fixer
committed
update mulliken output
abacus_fixer
committed
update mulliken spin 2
abacus_fixer
committed
update mulliken 4
abacus_fixer
committed
mulliken for spin 1
abacus_fixer
committed
update mulliken and refs
abacus_fixer
committed
update mulliken test to match new output format
abacus_fixer
committed

Commits on Feb 21, 2026

update pchg
abacus_fixer
committed
update mulliken test
abacus_fixer
committed
update directories in 02_NAO_Gamma
abacus_fixer
committed
change the directories in 02_NAO_Gamma to make it more clear
abacus_fixer
committed
exclude a test
abacus_fixer
committed
Merge branch 'deepmodeling:develop' into develop
mohanchen
authored
solve conflicts
abacus_fixer
committed
Update INPUT files: replace tabs with spaces and align columns
abacus_fixer
committed
update write_dmk.cpp
abacus_fixer
committed
update out_dmr_dmk example in 03
abacus_fixer
committed
fix write_dmk_test.cpp
abacus_fixer
committed
fix bug
abacus_fixer
committed
update write_dmk.cpp
abacus_fixer
committed
update write_dmk
abacus_fixer
committed
update
abacus_fixer
committed
update dmr output format, and change all the output of sparsematrix format
abacus_fixer
committed
update dmrs1_nap.csr.ref
abacus_fixer
committed

Commits on Feb 22, 2026

fix reader of dmr matrix
abacus_fixer
committed
fix bug, now it works!
abacus_fixer
committed
update format
abacus_fixer
committed
add spin information in dmr
abacus_fixer
committed
update example in 03: scf_in_dmr_GaAs
abacus_fixer
committed
add reference data
abacus_fixer
committed
update example in 03: scf_in_dmr_Si
abacus_fixer
committed
add example: scf_in_dmr_Si_spin2_hasbug
abacus_fixer
committed
update example 03: scf_out_dmr_dmk_pot
abacus_fixer
committed
change pot from int to vector!
abacus_fixer
committed
fix bug about out_pot
abacus_fixer
committed
update potential, now it works with 2 parameters
abacus_fixer
committed
fix bug, out_chg 2 now supports precision control of chginit.cube file!
abacus_fixer
committed
fix tests
abacus_fixer
committed
fix example
abacus_fixer
committed
fix example reference data
abacus_fixer
committed
update tab of write_HS.hpp
abacus_fixer
committed
replace tab with blank in write_HS_R.cpp
abacus_fixer
committed