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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#include "psi_init.h"#include "source_base/macros.h"#include "source_base/memory.h"#include "source_base/parallel_device.h"#include "source_base/timer.h"#include "source_base/tool_quit.h"#include "source_hsolver/diago_iter_assist.h"#include "source_io/module_parameter/parameter.h"#include "source_psi/psi_initializer_atomic.h"#include "source_psi/psi_initializer_atomic_random.h"#include "source_psi/psi_initializer_file.h"#include "source_psi/psi_initializer_nao.h"#include "source_psi/psi_initializer_nao_random.h"#include "source_psi/psi_initializer_random.h"Namespaces | |
| namespace | psi |
Functions | |
| void | psi::allocate_psi (Psi< std::complex< double > > *&psi, const int &nks, const std::vector< int > &ngk, const int &nbands, const int &npwx) |
| allocate the wavefunction | |