-
Notifications
You must be signed in to change notification settings - Fork 3
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
- Loading branch information
Avirup Sircar
committed
Aug 28, 2024
1 parent
5749afe
commit 241f29b
Showing
27 changed files
with
2,702 additions
and
239 deletions.
There are no files selected for viewing
Large diffs are not rendered by default.
Oops, something went wrong.
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1 @@ | ||
Be1s2s 4 0. 0. 0. |
22 changes: 22 additions & 0 deletions
22
analysis/classicalEnrichmentComparison/Forces/KSDFTClassical/CMakeLists.txt
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,22 @@ | ||
cmake_minimum_required(VERSION 3.20) | ||
project(poisson_problem_comprison) | ||
set(CMAKE_CXX_STANDARD 17) | ||
set(CMAKE_CXX_STANDARD_REQUIRED ON) | ||
|
||
set(MAIN_PROJECT_DIR $ENV{DFTEFE_PATH}) | ||
message(${MAIN_PROJECT_DIR}) | ||
|
||
include_directories(${MAIN_PROJECT_DIR}/src) | ||
add_subdirectory(${MAIN_PROJECT_DIR}/src/utils ${MAIN_PROJECT_DIR}/test/basis/lib/buildUtils) | ||
add_subdirectory(${MAIN_PROJECT_DIR}/src/basis ${MAIN_PROJECT_DIR}/test/basis/lib/buildBasis) | ||
add_subdirectory(${MAIN_PROJECT_DIR}/src/atoms ${MAIN_PROJECT_DIR}/test/basis/lib/buildAtoms) | ||
add_subdirectory(${MAIN_PROJECT_DIR}/src/quadrature ${MAIN_PROJECT_DIR}/test/basis/lib/buildQuadrature) | ||
add_subdirectory(${MAIN_PROJECT_DIR}/src/linearAlgebra ${MAIN_PROJECT_DIR}/test/linearAlgebra/lib/buildLinearAlgebra) | ||
add_subdirectory(${MAIN_PROJECT_DIR}/src/electrostatics ${MAIN_PROJECT_DIR}/test/electrostatics/lib/electrostatics) | ||
add_subdirectory(${MAIN_PROJECT_DIR}/src/ksdft ${MAIN_PROJECT_DIR}/test/ksdft/lib/ksdft) | ||
|
||
if(ENABLE_MPI) | ||
add_compile_definitions(DFTEFE_WITH_MPI) | ||
add_executable(TestKohnShamDft ${MAIN_PROJECT_DIR}/analysis/classicalEnrichmentComparison/Forces/KSDFTClassical/TestKohnShamDft.cpp) | ||
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) | ||
endif() |
Oops, something went wrong.