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Commit ac440af

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author
Avirup Sircar
committed
Modified AllElectron Energy analysis
1 parent 0c076f1 commit ac440af

5 files changed

Lines changed: 907 additions & 716 deletions

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analysis/classicalEnrichmentComparison/AllElectron/KSDFTClassical/CMakeLists.txt

Lines changed: 3 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -6,6 +6,8 @@ set(CMAKE_CXX_STANDARD_REQUIRED ON)
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set(MAIN_PROJECT_DIR $ENV{DFTEFE_PATH})
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message(${MAIN_PROJECT_DIR})
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9+
list(APPEND CMAKE_MODULE_PATH ${MAIN_PROJECT_DIR}/cmake)
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include_directories(${MAIN_PROJECT_DIR}/src)
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add_subdirectory(${MAIN_PROJECT_DIR}/src/utils ${MAIN_PROJECT_DIR}/test/basis/lib/buildUtils)
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add_subdirectory(${MAIN_PROJECT_DIR}/src/basis ${MAIN_PROJECT_DIR}/test/basis/lib/buildBasis)
@@ -17,6 +19,6 @@ add_subdirectory(${MAIN_PROJECT_DIR}/src/ksdft ${MAIN_PROJECT_DIR}/test/ksdft/li
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if(ENABLE_MPI)
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add_compile_definitions(DFTEFE_WITH_MPI)
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add_executable(TestKohnShamDft ${MAIN_PROJECT_DIR}/analysis/classicalEnrichmentComparison/KSDFTClassical/TestKohnShamDft.cpp)
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add_executable(TestKohnShamDft ${MAIN_PROJECT_DIR}/analysis/classicalEnrichmentComparison/AllElectron/KSDFTClassical/TestKohnShamDft.cpp)
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target_link_libraries(TestKohnShamDft PUBLIC dft-efe-basis dft-efe-electrostatics dft-efe-ksdft dft-efe-utils dft-efe-quadrature dft-efe-linalg dft-efe-atoms)
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endif()

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