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add tests for pair styles adp, atm, sw and tersoff and new data/input

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This commit is contained in:
Axel Kohlmeyer
2020-05-26 18:22:21 -04:00
parent 5e3fe19756
commit dff78c19aa
8 changed files with 835 additions and 1 deletions
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11
unittest/force-styles/CMakeLists.txt
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@ -22,7 +22,7 @@ foreach(TEST ${MOL_PAIR_TESTS})
WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
endforeach()
# tests for atomic systems and related pair styles
# tests for metal-like atomic systems and related pair styles
file(GLOB ATOMIC_PAIR_TESTS LIST_DIRECTORIES false ${TEST_INPUT_FOLDER}/atomic-pair-*.yaml)
foreach(TEST ${ATOMIC_PAIR_TESTS})
string(REGEX REPLACE "^.*atomic-pair-(.*)\.yaml" "AtomicPairStyle:\\1" TNAME ${TEST})
@ -31,6 +31,15 @@ foreach(TEST ${ATOMIC_PAIR_TESTS})
set_tests_properties(${TNAME} PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR}")
endforeach()
# tests for Si-like manybody systems and related pair styles
file(GLOB MANYBODY_PAIR_TESTS LIST_DIRECTORIES false ${TEST_INPUT_FOLDER}/manybody-pair-*.yaml)
foreach(TEST ${MANYBODY_PAIR_TESTS})
string(REGEX REPLACE "^.*manybody-pair-(.*)\.yaml" "ManybodyPairStyle:\\1" TNAME ${TEST})
add_test(NAME ${TNAME} COMMAND pair_style ${TEST}
WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
set_tests_properties(${TNAME} PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR}")
endforeach()
# bond style tester
add_executable(bond_style bond_style.cpp)
target_link_libraries(bond_style PRIVATE lammps style_tests)