2021-01-18 22:50:50 +08:00
|
|
|
set(src_pp
|
2020-02-10 17:49:02 +08:00
|
|
|
src/addusdens1d.f90
|
|
|
|
|
src/add_shift_cc.f90
|
|
|
|
|
src/add_shift_lc.f90
|
|
|
|
|
src/add_shift_us.f90
|
|
|
|
|
src/atomic_wfc_nc_proj.f90
|
|
|
|
|
src/chdens_module.f90
|
|
|
|
|
src/chdens_bspline.f90
|
|
|
|
|
src/compute_ppsi.f90
|
|
|
|
|
src/compute_sigma_avg.f90
|
|
|
|
|
src/cube.f90
|
|
|
|
|
src/dosg.f90
|
|
|
|
|
src/do_initial_state.f90
|
|
|
|
|
src/do_shift_ew.f90
|
|
|
|
|
src/d_matrix_nc.f90
|
|
|
|
|
src/d_matrix_so.f90
|
|
|
|
|
src/elf.f90
|
|
|
|
|
src/fermisurfer_common.f90
|
|
|
|
|
src/ggen1d.f90
|
|
|
|
|
src/local_dos.f90
|
|
|
|
|
src/local_dos_mag.f90
|
|
|
|
|
src/local_dos1d.f90
|
|
|
|
|
src/openfil_pp.f90
|
|
|
|
|
src/partialdos.f90
|
|
|
|
|
src/paw_postproc.f90
|
|
|
|
|
src/projections_mod.f90
|
|
|
|
|
src/projwfc_box.f90
|
|
|
|
|
src/punch_plot.f90
|
|
|
|
|
src/read_proj.f90
|
|
|
|
|
src/smallgk.f90
|
|
|
|
|
src/stm.f90
|
|
|
|
|
src/stop_pp.f90
|
|
|
|
|
src/sum_band_kin.f90
|
|
|
|
|
src/sym_band.f90
|
|
|
|
|
src/vasp_read_chgcar_mod.f90
|
|
|
|
|
src/vasp_xml_module.f90
|
|
|
|
|
src/wannier_proj.f90
|
|
|
|
|
src/wannier_enrg.f90
|
|
|
|
|
src/work_function.f90
|
|
|
|
|
src/write_p_avg.f90
|
|
|
|
|
src/write_proj.f90
|
|
|
|
|
src/write_io_header.f90
|
|
|
|
|
src/write_hamiltonians.f90
|
2020-03-04 19:09:20 +08:00
|
|
|
src/xc_vdW_scale_mod.f90
|
|
|
|
|
src/projwfc.f90)
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_enable_cuda_fortran("${src_pp}")
|
2020-02-10 17:49:02 +08:00
|
|
|
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_add_library(qe_pp ${src_pp})
|
2020-02-10 17:49:02 +08:00
|
|
|
target_compile_definitions(qe_pp PRIVATE "__WANLIB")
|
|
|
|
|
target_link_libraries(qe_pp
|
2020-02-10 21:28:45 +08:00
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_openmp_fortran
|
|
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
|
|
|
|
qe_fftx
|
|
|
|
|
qe_upflib
|
|
|
|
|
qe_lax
|
|
|
|
|
qe_xclib)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# pp.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_pp_x src/postproc.f90)
|
|
|
|
|
qe_add_executable(qe_pp_exe ${src_pp_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_exe PROPERTIES OUTPUT_NAME pp.x)
|
|
|
|
|
target_link_libraries(qe_pp_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
|
|
|
|
qe_pp
|
|
|
|
|
qe_fftx
|
2021-01-20 01:44:14 +08:00
|
|
|
qe_upflib
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_xclib)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# open_grid.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_open_grid_x src/open_grid.f90)
|
|
|
|
|
qe_add_executable(qe_pp_opengrid_exe ${src_open_grid_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_opengrid_exe PROPERTIES OUTPUT_NAME open_grid.x)
|
|
|
|
|
target_link_libraries(qe_pp_opengrid_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
|
|
|
|
qe_pp
|
|
|
|
|
qe_fftx
|
|
|
|
|
qe_upflib
|
|
|
|
|
qe_xclib)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# average.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_average_x src/average.f90)
|
|
|
|
|
qe_add_executable(qe_pp_average_exe ${src_average_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_average_exe PROPERTIES OUTPUT_NAME average.x)
|
|
|
|
|
target_link_libraries(qe_pp_average_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_fftx
|
|
|
|
|
qe_modules
|
|
|
|
|
qe_pp
|
|
|
|
|
qe_upflib
|
|
|
|
|
qe_xclib)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# bands.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_bands_x src/bands.f90)
|
|
|
|
|
qe_add_executable(qe_pp_bands_exe ${src_bands_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_bands_exe PROPERTIES OUTPUT_NAME bands.x)
|
|
|
|
|
target_link_libraries(qe_pp_bands_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
|
|
|
|
qe_pp
|
|
|
|
|
qe_upflib)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# dos.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_dos_x src/dos.f90)
|
|
|
|
|
qe_add_executable(qe_pp_dos_exe ${src_dos_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_dos_exe PROPERTIES OUTPUT_NAME dos.x)
|
|
|
|
|
target_link_libraries(qe_pp_dos_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_pp
|
|
|
|
|
qe_modules)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# pawplot.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_pawplot_x src/pawplot.f90)
|
|
|
|
|
qe_add_executable(qe_pp_pawplot_exe ${src_pawplot_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_pawplot_exe PROPERTIES OUTPUT_NAME pawplot.x)
|
|
|
|
|
target_link_libraries(qe_pp_pawplot_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
|
|
|
|
qe_pp
|
|
|
|
|
qe_upflib
|
|
|
|
|
qe_fftx
|
|
|
|
|
qe_xclib)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# plan_avg.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_plan_avg_x src/plan_avg.f90)
|
|
|
|
|
qe_add_executable(qe_pp_planavg_exe ${src_plan_avg_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_planavg_exe PROPERTIES OUTPUT_NAME plan_avg.x)
|
|
|
|
|
target_link_libraries(qe_pp_planavg_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
|
|
|
|
qe_pp
|
|
|
|
|
qe_upflib
|
|
|
|
|
qe_fftx)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# plotband.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_plotband_x src/plotband.f90)
|
|
|
|
|
qe_add_executable(qe_pp_plotband_exe ${src_plotband_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_plotband_exe PROPERTIES OUTPUT_NAME plotband.x)
|
|
|
|
|
target_link_libraries(qe_pp_plotband_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_modules
|
|
|
|
|
qe_pp)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# plotproj.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_plotproj_x src/plotproj.f90)
|
|
|
|
|
qe_add_executable(qe_pp_plotproj_exe ${src_plotproj_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_plotproj_exe PROPERTIES OUTPUT_NAME plotproj.x)
|
|
|
|
|
target_link_libraries(qe_pp_plotproj_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_modules
|
|
|
|
|
qe_pp)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# plotrho.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_plotrho_x src/plotrho.f90)
|
|
|
|
|
qe_add_executable(qe_pp_plotrho_exe ${src_plotrho_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_plotrho_exe PROPERTIES OUTPUT_NAME plotrho.x)
|
|
|
|
|
target_link_libraries(qe_pp_plotrho_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_modules
|
|
|
|
|
qe_pp)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# pmw.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_pmw_x src/poormanwannier.f90)
|
|
|
|
|
qe_add_executable(qe_pp_pmw_exe ${src_pmw_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_pmw_exe PROPERTIES OUTPUT_NAME pmw.x)
|
|
|
|
|
target_link_libraries(qe_pp_pmw_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
|
|
|
|
qe_pp
|
2021-04-07 03:07:49 +08:00
|
|
|
qe_upflib
|
|
|
|
|
qe_lapack)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# projwfc.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_projwfc_x src/projwfc.f90)
|
|
|
|
|
qe_add_executable(qe_pp_projwfc_exe ${src_projwfc_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_projwfc_exe PROPERTIES OUTPUT_NAME projwfc.x)
|
|
|
|
|
target_link_libraries(qe_pp_projwfc_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
|
|
|
|
qe_pp
|
|
|
|
|
qe_lax
|
2021-04-07 03:07:49 +08:00
|
|
|
qe_upflib
|
|
|
|
|
qe_lapack)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# pw2wannier90.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_pw2wannier90_x src/pw2wannier90.f90)
|
|
|
|
|
qe_add_executable(qe_pp_pw2wannier90_exe ${src_pw2wannier90_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_pw2wannier90_exe PROPERTIES OUTPUT_NAME pw2wannier90.x)
|
|
|
|
|
target_link_libraries(qe_pp_pw2wannier90_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
|
|
|
|
qe_pp
|
|
|
|
|
qe_fftx
|
|
|
|
|
qe_upflib
|
2021-04-07 03:07:49 +08:00
|
|
|
qe_xclib
|
|
|
|
|
qe_lapack)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# pw2critic.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_pw2critic_x src/pw2critic.f90)
|
|
|
|
|
qe_add_executable(qe_pp_pw2critic_exe ${src_pw2critic_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_pw2critic_exe PROPERTIES OUTPUT_NAME pw2critic.x)
|
|
|
|
|
target_link_libraries(qe_pp_pw2critic_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
2021-02-23 22:55:24 +08:00
|
|
|
qe_upflib
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pp
|
|
|
|
|
qe_fftx)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# wfck2r.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_wfck2r_x src/wfck2r.f90)
|
|
|
|
|
qe_add_executable(qe_pp_wfck2r_exe ${src_wfck2r_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_wfck2r_exe PROPERTIES OUTPUT_NAME wfck2r.x)
|
|
|
|
|
target_link_libraries(qe_pp_wfck2r_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
2021-02-23 22:55:24 +08:00
|
|
|
qe_upflib
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pp
|
|
|
|
|
qe_fftx)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# initial_state.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_initial_state_x src/initial_state.f90)
|
|
|
|
|
qe_add_executable(qe_pp_initial_state_exe ${src_initial_state_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_initial_state_exe PROPERTIES OUTPUT_NAME initial_state.x)
|
|
|
|
|
target_link_libraries(qe_pp_initial_state_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
2021-02-23 22:55:24 +08:00
|
|
|
qe_upflib
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pp
|
|
|
|
|
qe_upflib)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# pw2gw.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_pw2gw_x src/pw2gw.f90)
|
|
|
|
|
qe_add_executable(qe_pp_pw2gw_exe ${src_pw2gw_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_pw2gw_exe PROPERTIES OUTPUT_NAME pw2gw.x)
|
|
|
|
|
target_link_libraries(qe_pp_pw2gw_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
|
|
|
|
qe_pp
|
|
|
|
|
qe_fftx
|
|
|
|
|
qe_upflib
|
|
|
|
|
qe_mpi_fortran
|
|
|
|
|
qe_xclib)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# sumpdos.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_sumpdos_x src/sumpdos.f90)
|
|
|
|
|
qe_add_executable(qe_pp_sumpdos_exe ${src_sumpdos_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_sumpdos_exe PROPERTIES OUTPUT_NAME sumpdos.x)
|
|
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# epsilon.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_epsilon_x src/epsilon.f90)
|
|
|
|
|
qe_add_executable(qe_pp_epsilon_exe ${src_epsilon_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_epsilon_exe PROPERTIES OUTPUT_NAME epsilon.x)
|
|
|
|
|
target_link_libraries(qe_pp_epsilon_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
|
|
|
|
qe_pp
|
|
|
|
|
qe_upflib)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# wannier_ham.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_wannier_ham_x src/wannier_ham.f90)
|
|
|
|
|
qe_add_executable(qe_pp_wannierham_exe ${src_wannier_ham_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_wannierham_exe PROPERTIES OUTPUT_NAME wannier_ham.x)
|
|
|
|
|
target_link_libraries(qe_pp_wannierham_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
2021-02-23 22:55:24 +08:00
|
|
|
qe_upflib
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pp)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# wannier_plot.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_wannier_plot_x src/wannier_plot.f90)
|
|
|
|
|
qe_add_executable(qe_pp_wannierplot_exe ${src_wannier_plot_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_wannierplot_exe PROPERTIES OUTPUT_NAME wannier_plot.x)
|
|
|
|
|
target_link_libraries(qe_pp_wannierplot_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
2021-02-23 22:55:24 +08:00
|
|
|
qe_upflib
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pp
|
|
|
|
|
qe_fftx)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# molecularpdos.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_molecularpdos_x src/molecularpdos.f90)
|
|
|
|
|
qe_add_executable(qe_pp_molecularpdos_exe ${src_molecularpdos_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_molecularpdos_exe PROPERTIES OUTPUT_NAME molecularpdos.x)
|
|
|
|
|
target_link_libraries(qe_pp_molecularpdos_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_modules
|
|
|
|
|
qe_pp)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# pw2bgw.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_pw2bgw_x src/pw2bgw.f90)
|
|
|
|
|
qe_add_executable(qe_pp_pw2bgw_exe ${src_pw2bgw_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_pw2bgw_exe PROPERTIES OUTPUT_NAME pw2bgw.x)
|
|
|
|
|
target_link_libraries(qe_pp_pw2bgw_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
|
|
|
|
qe_pp
|
|
|
|
|
qe_upflib
|
|
|
|
|
qe_fftx
|
|
|
|
|
qe_mpi_fortran
|
|
|
|
|
qe_xclib)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# fs.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_fs_x src/fermisurface.f90)
|
|
|
|
|
qe_add_executable(qe_pp_fermisurface_exe ${src_fs_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_fermisurface_exe PROPERTIES OUTPUT_NAME fs.x)
|
|
|
|
|
target_link_libraries(qe_pp_fermisurface_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
|
|
|
|
qe_pp)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# fermi_velocity.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_fermi_velocity_x src/fermi_velocity.f90)
|
|
|
|
|
qe_add_executable(qe_pp_fermivelocity_exe ${src_fermi_velocity_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_fermivelocity_exe PROPERTIES OUTPUT_NAME fermi_velocity.x)
|
|
|
|
|
target_link_libraries(qe_pp_fermivelocity_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
|
|
|
|
qe_pp)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# fermi_proj.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_fermi_proj_x src/fermi_proj.f90)
|
|
|
|
|
qe_add_executable(qe_pp_fermiproj_exe ${src_fermi_proj_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_fermiproj_exe PROPERTIES OUTPUT_NAME fermi_proj.x)
|
|
|
|
|
target_link_libraries(qe_pp_fermiproj_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_modules
|
|
|
|
|
qe_pp
|
|
|
|
|
qe_upflib)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# ppacf.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_ppacf_x src/ppacf.f90)
|
|
|
|
|
qe_add_executable(qe_pp_ppacf_exe ${src_ppacf_x})
|
2020-02-10 17:49:02 +08:00
|
|
|
set_target_properties(qe_pp_ppacf_exe PROPERTIES OUTPUT_NAME ppacf.x)
|
|
|
|
|
target_link_libraries(qe_pp_ppacf_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_pw
|
|
|
|
|
qe_pp
|
|
|
|
|
qe_modules
|
|
|
|
|
qe_fftx
|
|
|
|
|
qe_upflib
|
2021-04-07 03:07:49 +08:00
|
|
|
qe_xclib
|
|
|
|
|
qe_lapack)
|
2020-02-10 17:49:02 +08:00
|
|
|
|
2020-02-13 18:14:48 +08:00
|
|
|
###########################################################
|
|
|
|
|
# ef.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_ef_x
|
2020-02-13 18:14:48 +08:00
|
|
|
simple_transport/src/cryst_to_car.f90
|
|
|
|
|
simple_transport/src/lint.f90
|
2020-11-23 02:03:50 +08:00
|
|
|
simple_transport/src/ef.f90)
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_add_executable(qe_pp_st_ef_exe ${src_ef_x})
|
2020-02-13 18:14:48 +08:00
|
|
|
set_target_properties(qe_pp_st_ef_exe PROPERTIES OUTPUT_NAME ef.x)
|
|
|
|
|
target_link_libraries(qe_pp_st_ef_exe
|
|
|
|
|
PRIVATE
|
2021-04-07 21:16:37 +08:00
|
|
|
qe_openmp_fortran)
|
2020-02-13 18:14:48 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# dos_sp.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_dos_sp_x
|
2020-02-13 18:14:48 +08:00
|
|
|
simple_transport/src/smearing_mod.f90
|
|
|
|
|
simple_transport/src/cryst_to_car.f90
|
|
|
|
|
simple_transport/src/lint.f90
|
|
|
|
|
simple_transport/src/vband_ibz.f90
|
2020-11-23 02:03:50 +08:00
|
|
|
simple_transport/src/dos.f90)
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_add_executable(qe_pp_st_dos_exe ${src_dos_sp_x})
|
2020-02-13 18:14:48 +08:00
|
|
|
set_target_properties(qe_pp_st_dos_exe PROPERTIES OUTPUT_NAME dos_sp.x)
|
2020-10-20 00:17:46 +08:00
|
|
|
target_link_libraries(qe_pp_st_dos_exe
|
2020-02-13 18:14:48 +08:00
|
|
|
PRIVATE
|
2021-04-07 21:16:37 +08:00
|
|
|
qe_openmp_fortran)
|
2020-02-13 18:14:48 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# fermi_int_0.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_fermi_int_0_x
|
2020-02-13 18:14:48 +08:00
|
|
|
simple_transport/src/cryst_to_car.f90
|
|
|
|
|
simple_transport/src/lint.f90
|
|
|
|
|
simple_transport/src/vband_ibz.f90
|
2020-11-23 02:03:50 +08:00
|
|
|
simple_transport/src/fermi_int_0.f90)
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_add_executable(qe_pp_st_fermiint0_exe ${src_fermi_int_0_x})
|
2020-02-13 18:14:48 +08:00
|
|
|
set_target_properties(qe_pp_st_fermiint0_exe PROPERTIES OUTPUT_NAME fermi_int_0.x)
|
|
|
|
|
target_link_libraries(qe_pp_st_ef_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_openmp_fortran)
|
2020-02-13 18:14:48 +08:00
|
|
|
|
|
|
|
|
###########################################################
|
|
|
|
|
# fermi_int_1.x
|
|
|
|
|
###########################################################
|
2021-01-18 22:50:50 +08:00
|
|
|
set(src_fermi_int_1_x
|
2020-02-13 18:14:48 +08:00
|
|
|
simple_transport/src/cryst_to_car.f90
|
|
|
|
|
simple_transport/src/reducegrid.f90
|
|
|
|
|
simple_transport/src/lint.f90
|
|
|
|
|
simple_transport/src/vband_ibz.f90
|
2020-11-23 02:03:50 +08:00
|
|
|
simple_transport/src/fermi_int_1.f90)
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_add_executable(qe_pp_st_fermiint1_exe ${src_fermi_int_1_x})
|
2020-02-13 18:14:48 +08:00
|
|
|
set_target_properties(qe_pp_st_fermiint1_exe PROPERTIES OUTPUT_NAME fermi_int_1.x)
|
|
|
|
|
target_link_libraries(qe_pp_st_ef_exe
|
|
|
|
|
PRIVATE
|
2021-01-18 22:50:50 +08:00
|
|
|
qe_openmp_fortran)
|
2020-02-13 18:14:48 +08:00
|
|
|
|
2020-02-10 17:49:02 +08:00
|
|
|
###########################################################
|
|
|
|
|
|
|
|
|
|
qe_install_targets(
|
|
|
|
|
# Libraries
|
|
|
|
|
qe_pp
|
|
|
|
|
# Executables
|
|
|
|
|
qe_pp_exe
|
|
|
|
|
qe_pp_opengrid_exe
|
|
|
|
|
qe_pp_average_exe
|
|
|
|
|
qe_pp_bands_exe
|
|
|
|
|
qe_pp_dos_exe
|
|
|
|
|
qe_pp_pawplot_exe
|
|
|
|
|
qe_pp_planavg_exe
|
|
|
|
|
qe_pp_plotband_exe
|
|
|
|
|
qe_pp_plotproj_exe
|
|
|
|
|
qe_pp_plotrho_exe
|
|
|
|
|
qe_pp_pmw_exe
|
|
|
|
|
qe_pp_projwfc_exe
|
|
|
|
|
qe_pp_pw2wannier90_exe
|
|
|
|
|
qe_pp_pw2critic_exe
|
|
|
|
|
qe_pp_wfck2r_exe
|
|
|
|
|
qe_pp_initial_state_exe
|
|
|
|
|
qe_pp_pw2gw_exe
|
|
|
|
|
qe_pp_sumpdos_exe
|
|
|
|
|
qe_pp_epsilon_exe
|
|
|
|
|
qe_pp_wannierham_exe
|
|
|
|
|
qe_pp_wannierplot_exe
|
|
|
|
|
qe_pp_molecularpdos_exe
|
|
|
|
|
qe_pp_pw2bgw_exe
|
|
|
|
|
qe_pp_fermivelocity_exe
|
|
|
|
|
qe_pp_fermisurface_exe
|
|
|
|
|
qe_pp_fermiproj_exe
|
|
|
|
|
qe_pp_ppacf_exe
|
2020-02-13 18:14:48 +08:00
|
|
|
# Simple Transport
|
|
|
|
|
qe_pp_st_ef_exe
|
|
|
|
|
qe_pp_st_dos_exe
|
|
|
|
|
qe_pp_st_fermiint0_exe
|
2021-01-18 05:39:34 +08:00
|
|
|
qe_pp_st_fermiint1_exe)
|
