ABACUS
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Atomic-orbital Based Ab-initio Computation at UStc
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source_estate
source_estate Directory Reference
Directory dependency graph for source_estate:
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Directories
kernels
module_charge
module_dm
module_pot
test
test_mpi
Files
cal_dm.h
cal_nelec_nband.cpp
cal_nelec_nband.h
cal_ux.cpp
cal_ux.h
cal_wfc.cpp
elecstate.cpp
elecstate.h
elecstate_energy.cpp
elecstate_energy_terms.cpp
elecstate_exx.cpp
elecstate_lcao.cpp
elecstate_lcao.h
elecstate_lcao_cal_tau.cpp
elecstate_print.cpp
elecstate_print.h
elecstate_pw.cpp
elecstate_pw.h
elecstate_pw_cal_tau.cpp
elecstate_pw_sdft.cpp
elecstate_pw_sdft.h
elecstate_tools.cpp
elecstate_tools.h
fp_energy.cpp
fp_energy.h
This file contains all energies about first-principle calculations.
magnetism.cpp
magnetism.h
math_tools.h
occupy.cpp
occupy.h
read_orb.cpp
read_orb.h
read_pseudo.cpp
read_pseudo.h
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