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mirror of https://github.com/triqs/dft_tools synced 2024-06-21 12:42:16 +02:00

Merge branch 'vasp' of https://github.com/TRIQS/dft_tools into vasp

This commit is contained in:
Oleg E. Peil 2016-03-11 10:09:33 +01:00
commit 9401bed308
2 changed files with 4 additions and 1 deletions

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@ -5,5 +5,6 @@ include_directories(${CMAKE_CURRENT_SOURCE_DIR}/c++/plovasp/atm ${TRIQS_INCLUDE_
#add_executable(test_atm test2py.cpp)
#target_link_libraries(test_atm atm_c)
install(TARGETS atm_c DESTINATION lib)
add_subdirectory(test)

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@ -62,7 +62,7 @@ def generate_and_output_as_text(conf_filename, vasp_dir):
pshells, pgroups = generate_plo(pars, el_struct)
output_as_text(pars, el_struct, pshells, pgroups)
if __name__ == '__main__':
def main():
narg = len(sys.argv)
if narg < 2:
raise SystemExit(" Usage: python main.py <conf-file> [<path-to-vasp-calcultaion>]")
@ -77,3 +77,5 @@ if __name__ == '__main__':
generate_and_output_as_text(filename, vasp_dir)
if __name__ == '__main__':
main()