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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions | Variables
xc3_mock.h File Reference
#include <fstream>
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Namespaces

namespace  ModulePW
 
namespace  ModuleBase
 
namespace  GlobalV
 
namespace  GlobalC
 
namespace  elecstate
 
namespace  Parallel_Reduce
 

Functions

template void ModulePW::PW_Basis_K::real_to_recip< double, base_device::DEVICE_CPU > (const base_device::DEVICE_CPU *ctx, const std::complex< double > *in, std::complex< double > *out, const int ik, const bool add, const double factor) const
 
template void ModulePW::PW_Basis_K::recip_to_real< double, base_device::DEVICE_CPU > (const base_device::DEVICE_CPU *ctx, const std::complex< double > *in, std::complex< double > *out, const int ik, const bool add, const double factor) const
 
void ModuleBase::WARNING_QUIT (const std::string &file, const std::string &description)
 Combine the functions of WARNING and QUIT.
 
void ModuleBase::WARNING (const std::string &file, const std::string &description)
 Print out warning information in warning.log file.
 
void ModuleBase::TITLE (const std::string &class_function_name, bool disable)
 
void ModuleBase::TITLE (const std::string &class_name, const std::string &function_name, const bool disable)
 
void elecstate::cal_ux (UnitCell &ucell)
 
template<typename T >
void Parallel_Reduce::reduce_all (T &object)
 reduce in all process
 
template<typename T >
void Parallel_Reduce::reduce_all (T *object, const int n)
 
template<typename T >
void Parallel_Reduce::reduce_pool (T &object)
 
template<typename T >
void Parallel_Reduce::reduce_pool (T *object, const int n)
 
template<>
void Parallel_Reduce::reduce_all< double > (double &object)
 
template void Parallel_Reduce::reduce_all< double > (double *object, const int n)
 
template<>
void Parallel_Reduce::reduce_pool< float > (float &object)
 
template void Parallel_Reduce::reduce_pool< float > (float *object, const int n)
 
template void Parallel_Reduce::reduce_pool< double > (double *object, const int n)
 

Variables

int GlobalV::NPOL
 
bool GlobalV::DOMAG
 
bool GlobalV::DOMAG_Z