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Feature: multicollinear LDA & GGA #5460

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Feature: multicollinear LDA & GGA #5460

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5d1fc9b
multicollinear LDA & GGA (implemented by Xiaoyu Zhang)
jinzx10 Nov 12, 2024
ff0893e
Merge branch 'develop' into mclda
jinzx10 Nov 12, 2024
7162530
add missed files
jinzx10 Nov 12, 2024
ea9b954
fix compilation error
jinzx10 Nov 12, 2024
3a8676d
[pre-commit.ci lite] apply automatic fixes
pre-commit-ci-lite[bot] Nov 12, 2024
0482d45
fix UT compilation with NCLibxc
jinzx10 Nov 12, 2024
5c1f914
gga fixed
jinzx10 Nov 13, 2024
e695f8a
Merge branch 'develop' into mclda
jinzx10 Nov 13, 2024
420e4d5
fix nan error
jinzx10 Nov 19, 2024
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6 changes: 6 additions & 0 deletions source/module_hamilt_general/module_xc/CMakeLists.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -17,6 +17,12 @@ add_library(
xc_functional_libxc_wrapper_xc.cpp
xc_functional_libxc_wrapper_gcxc.cpp
xc_functional_libxc_wrapper_tauxc.cpp
NCLibxc/NCLibxc.cpp
NCLibxc/NCLibxc.h
NCLibxc/interface_to_libxc.cpp
NCLibxc/interface_to_libxc.h
NCLibxc/LebedevGrid.cpp
xc_functional_NCLibxc_gga.cpp
)

if(ENABLE_COVERAGE)
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