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Atomic-orbital Based Ab-initio Computation at UStc
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source
source_hsolver
diago_cusolvermp.h
Go to the documentation of this file.
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#ifndef DIAGO_CUSOLVERMPH
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#define DIAGO_CUSOLVERMPH
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#ifdef __CUSOLVERMP
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#include "
source_hamilt/hamilt.h
"
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#include "
source_base/macros.h
"
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#include "
source_basis/module_ao/parallel_orbitals.h
"
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#include "source_hsolver/kernels/cuda/diag_cusolvermp.cuh"
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namespace
hsolver
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{
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// DiagoCusolverMP class, for diagonalization using CUSOLVERMP
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template
<
typename
T>
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class
DiagoCusolverMP
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{
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private
:
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using
Real
=
typename
GetTypeReal<T>::type
;
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public
:
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DiagoCusolverMP()
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{
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}
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// the diag function for CUSOLVERMP diagonalization
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void
diag(
hamilt::Hamilt<T>
* phm_in,
psi::Psi<T>
&
psi
, Real* eigenvalue_in);
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};
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}
// namespace hsolver
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#endif
// __CUSOLVERMP
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#endif
// DIAGO_CUSOLVERMPH
hamilt::Hamilt
Definition
hamilt.h:16
psi::Psi
Definition
psi.h:37
hamilt.h
macros.h
ModuleIO::Real
typename GetTypeReal< T >::type Real
Definition
write_vxc_lip.hpp:18
hsolver
Definition
diag_comm_info.h:9
psi
Definition
exx_lip.h:23
parallel_orbitals.h
GetTypeReal::type
T type
Definition
macros.h:8
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