diff --git a/CMakeLists.txt b/CMakeLists.txt index ceda688c6..2cd856a96 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -58,7 +58,6 @@ include(${PROJECT_SOURCE_DIR}/cmake/downloaded/autocmake_code_coverage.cmake) include(${PROJECT_SOURCE_DIR}/cmake/custom/mpi.cmake) include(${PROJECT_SOURCE_DIR}/cmake/custom/omp.cmake) include(${PROJECT_SOURCE_DIR}/cmake/custom/sad_basis.cmake) -include(${PROJECT_SOURCE_DIR}/cmake/custom/lebedev.cmake) include(${PROJECT_SOURCE_DIR}/cmake/custom/main.cmake) include(${PROJECT_SOURCE_DIR}/cmake/custom/feature_summary.cmake) include(${PROJECT_SOURCE_DIR}/cmake/custom/tests.cmake) diff --git a/cmake/custom/lebedev.cmake b/cmake/custom/lebedev.cmake deleted file mode 100644 index 4f3a27b16..000000000 --- a/cmake/custom/lebedev.cmake +++ /dev/null @@ -1,7 +0,0 @@ -set(LEBEDEV_SOURCE_DIR ${PROJECT_SOURCE_DIR}/share/lebedev CACHE STRING "Path to SAD basis and density files") -set(LEBEDEV_INSTALL_DIR ${CMAKE_INSTALL_PREFIX}/share/${PROJECT_NAME}/lebedev) -install( - DIRECTORY share/lebedev - DESTINATION share/${PROJECT_NAME} - ) - diff --git a/share/lebedev/lebedev_high.txt b/share/lebedev/lebedev_high.txt deleted file mode 100644 index 4fb5b6362..000000000 --- a/share/lebedev/lebedev_high.txt +++ /dev/null @@ -1,590 +0,0 @@ - 0.000000000000000 90.000000000000000 0.000309512129531 - 180.000000000000000 90.000000000000000 0.000309512129531 - 90.000000000000000 90.000000000000000 0.000309512129531 - -90.000000000000000 90.000000000000000 0.000309512129531 - 90.000000000000000 0.000000000000000 0.000309512129531 - 90.000000000000000 180.000000000000000 0.000309512129531 - 45.000000000000000 54.735610317245346 0.001852379698597 - 45.000000000000000 125.264389682754654 0.001852379698597 - -45.000000000000000 54.735610317245346 0.001852379698597 - -45.000000000000000 125.264389682754654 0.001852379698597 - 135.000000000000000 54.735610317245346 0.001852379698597 - 135.000000000000000 125.264389682754654 0.001852379698597 --135.000000000000000 54.735610317245346 0.001852379698597 --135.000000000000000 125.264389682754654 0.001852379698597 - 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135.000000000000000 64.318134318778689 0.001852028828296 - 135.000000000000000 115.681865681221325 0.001852028828296 --135.000000000000000 64.318134318778689 0.001852028828296 --135.000000000000000 115.681865681221325 0.001852028828296 - 34.218202929491348 50.412587784704165 0.001852028828296 - -34.218202929491348 50.412587784704165 0.001852028828296 - 34.218202929491348 129.587412215295842 0.001852028828296 - -34.218202929491348 129.587412215295842 0.001852028828296 - 145.781797070508645 50.412587784704165 0.001852028828296 --145.781797070508645 50.412587784704165 0.001852028828296 - 145.781797070508645 129.587412215295842 0.001852028828296 --145.781797070508645 129.587412215295842 0.001852028828296 - 55.781797070508652 50.412587784704165 0.001852028828296 - 124.218202929491355 50.412587784704165 0.001852028828296 - 55.781797070508652 129.587412215295842 0.001852028828296 - 124.218202929491355 129.587412215295842 0.001852028828296 - -55.781797070508652 50.412587784704165 0.001852028828296 --124.218202929491355 50.412587784704165 0.001852028828296 - 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90.000000000000000 135.000000000000000 0.038095238095238 - -90.000000000000000 45.000000000000000 0.038095238095238 - -90.000000000000000 135.000000000000000 0.038095238095238 - 0.000000000000000 45.000000000000000 0.038095238095238 - 0.000000000000000 135.000000000000000 0.038095238095238 - 180.000000000000000 45.000000000000000 0.038095238095238 - 180.000000000000000 135.000000000000000 0.038095238095238 - 45.000000000000000 90.000000000000000 0.038095238095238 - -45.000000000000000 90.000000000000000 0.038095238095238 - 135.000000000000000 90.000000000000000 0.038095238095238 --135.000000000000000 90.000000000000000 0.038095238095238 - 45.000000000000000 54.735610317245346 0.032142857142857 - 45.000000000000000 125.264389682754654 0.032142857142857 - -45.000000000000000 54.735610317245346 0.032142857142857 - -45.000000000000000 125.264389682754654 0.032142857142857 - 135.000000000000000 54.735610317245346 0.032142857142857 - 135.000000000000000 125.264389682754654 0.032142857142857 --135.000000000000000 54.735610317245346 0.032142857142857 --135.000000000000000 125.264389682754654 0.032142857142857 diff --git a/share/lebedev/lebedev_tiny_low.txt b/share/lebedev/lebedev_tiny_low.txt deleted file mode 100644 index 748046b6e..000000000 --- a/share/lebedev/lebedev_tiny_low.txt +++ /dev/null @@ -1,6 +0,0 @@ - 0.000000000000000 90.000000000000000 0.166666666666667 - 180.000000000000000 90.000000000000000 0.166666666666667 - 90.000000000000000 90.000000000000000 0.166666666666667 - -90.000000000000000 90.000000000000000 0.166666666666667 - 90.000000000000000 0.000000000000000 0.166666666666667 - 90.000000000000000 180.000000000000000 0.166666666666667 diff --git a/share/lebedev/lebedev_tiny_medium.txt b/share/lebedev/lebedev_tiny_medium.txt deleted file mode 100644 index e66535d5a..000000000 --- a/share/lebedev/lebedev_tiny_medium.txt +++ /dev/null @@ -1,14 +0,0 @@ - 0.000000000000000 90.000000000000000 0.066666666666667 - 180.000000000000000 90.000000000000000 0.066666666666667 - 90.000000000000000 90.000000000000000 0.066666666666667 - -90.000000000000000 90.000000000000000 0.066666666666667 - 90.000000000000000 0.000000000000000 0.066666666666667 - 90.000000000000000 180.000000000000000 0.066666666666667 - 45.000000000000000 54.735610317245346 0.075000000000000 - 45.000000000000000 125.264389682754654 0.075000000000000 - -45.000000000000000 54.735610317245346 0.075000000000000 - -45.000000000000000 125.264389682754654 0.075000000000000 - 135.000000000000000 54.735610317245346 0.075000000000000 - 135.000000000000000 125.264389682754654 0.075000000000000 --135.000000000000000 54.735610317245346 0.075000000000000 --135.000000000000000 125.264389682754654 0.075000000000000 diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index d782b55c6..84c22c22c 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -39,11 +39,6 @@ add_subdirectory(surface_forces) add_subdirectory(tensor) add_subdirectory(utils) -target_compile_definitions(mrchem PRIVATE - LEBEDEV_SOURCE_DIR="${LEBEDEV_SOURCE_DIR}" - LEBEDEV_INSTALL_DIR="${LEBEDEV_INSTALL_DIR}" -) - target_link_libraries(mrchem PRIVATE Eigen3::Eigen