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Atomic-orbital Based Ab-initio Computation at UStc
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Functions
ModuleBase::GlobalFunc Namespace Reference

Functions

template<typename Ti , typename... T_tail>
void FUNC_EACH_2 (Ti &tA, const Ti &tB, std::function< void(Ti &, const Ti &, T_tail...) > func, const T_tail &... t_tail)
 
template<typename Tv , typename Ti , typename... T_tail>
void FUNC_EACH_2 (std::vector< Tv > &tA, const std::vector< Tv > &tB, std::function< void(Ti &, const Ti &, T_tail...) > func, const T_tail &... t_tail)
 
template<typename T1 , typename T2 , typename Ti , typename... T_tail>
void FUNC_EACH_2 (std::map< T1, T2 > &tA, const std::map< T1, T2 > &tB, std::function< void(Ti &, const Ti &, T_tail...) > func, const T_tail &... t_tail)
 
void NOTE (const std::string &words)
 
void NEW_PART (const std::string &words)
 
void OUT (std::ofstream &ofs, const std::string &name)
 
void MAKE_DIR (const std::string &fn)
 
void DONE (std::ofstream &ofs, const std::string &description, const bool only_rank0)
 
bool SCAN_BEGIN (std::ifstream &ifs, const std::string &TargetName, const bool restart, const bool ifwarn)
 
bool SCAN_LINE_BEGIN (std::ifstream &ifs, const std::string &TargetName, const bool restart, const bool ifwarn)
 
void SCAN_END (std::ifstream &ifs, const std::string &TargetName, const bool ifwarn)
 
void BLOCK_HERE (const std::string &description)
 
void OUT_TIME (const std::string &name, time_t &start, time_t &end)
 
size_t MemAvailable ()
 
template<class T >
void OUT (std::ofstream &ofs, const std::string &name, const T &a)
 
template<class T >
void OUT (std::ofstream &ofs, const std::string &name, const T &x, const T &y)
 
template<class T >
void OUT (std::ofstream &ofs, const std::string &name, const T &x, const T &y, const T &z)
 
template<class T >
void OUTP (std::ofstream &ofs, const std::string &name, const T &a, const std::string &explanation="")
 
template<class T >
void OUT (const std::string &name, const T &a)
 
template<class T >
void AUTO_SET (const std::string &name, const T &a)
 
template<class T , class TI >
void ZEROS (std::complex< T > *u, const TI n)
 
template<class T , class TI >
void ZEROS (T *u, const TI n)
 
void TEST_LEVEL (const std::string &name, bool disable)
 
template<typename T >
void DCOPY (const T *a, T *b, const int &dim)
 
template<typename T >
void COPYARRAY (const T *a, T *b, const long dim)
 
template<>
void COPYARRAY (const std::complex< double > *a, std::complex< double > *b, const long dim)
 
template<>
void COPYARRAY (const double *a, double *b, const long dim)
 
template<typename T >
std::string TO_STRING (const T &t, const int n=20)
 
template<typename T_map , typename T_key1 >
void * MAP_EXIST (T_map &ms, const T_key1 &key1)
 
template<typename T_map , typename T_key1 , typename... T_key_tail>
void * MAP_EXIST (T_map &ms, const T_key1 &key1, const T_key_tail &... key_tail)
 
template<typename T_map , typename T_key1 >
const void * MAP_EXIST (const T_map &ms, const T_key1 &key1)
 
template<typename T_map , typename T_key1 , typename... T_key_tail>
const void * MAP_EXIST (const T_map &ms, const T_key1 &key1, const T_key_tail &... key_tail)
 
template<typename T >
T ddot_real (const int &dim, const std::complex< T > *psi_L, const std::complex< T > *psi_R, const bool reduce=true)
 
template double ddot_real (const int &dim, const std::complex< double > *psi_L, const std::complex< double > *psi_R, const bool reduce)
 
template float ddot_real (const int &dim, const std::complex< float > *psi_L, const std::complex< float > *psi_R, const bool reduce)
 

Function Documentation

◆ AUTO_SET()

template<class T >
void ModuleBase::GlobalFunc::AUTO_SET ( const std::string &  name,
const T a 
)
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◆ BLOCK_HERE()

void ModuleBase::GlobalFunc::BLOCK_HERE ( const std::string &  description)
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◆ COPYARRAY() [1/3]

template<>
void ModuleBase::GlobalFunc::COPYARRAY ( const double *  a,
double *  b,
const long  dim 
)
inline
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◆ COPYARRAY() [2/3]

template<>
void ModuleBase::GlobalFunc::COPYARRAY ( const std::complex< double > *  a,
std::complex< double > *  b,
const long  dim 
)
inline
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◆ COPYARRAY() [3/3]

template<typename T >
void ModuleBase::GlobalFunc::COPYARRAY ( const T a,
T b,
const long  dim 
)
inline
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◆ DCOPY()

template<typename T >
void ModuleBase::GlobalFunc::DCOPY ( const T a,
T b,
const int &  dim 
)
inline

◆ ddot_real() [1/3]

template double ModuleBase::GlobalFunc::ddot_real ( const int &  dim,
const std::complex< double > *  psi_L,
const std::complex< double > *  psi_R,
const bool  reduce 
)

◆ ddot_real() [2/3]

template float ModuleBase::GlobalFunc::ddot_real ( const int &  dim,
const std::complex< float > *  psi_L,
const std::complex< float > *  psi_R,
const bool  reduce 
)

◆ ddot_real() [3/3]

template<typename T >
T ModuleBase::GlobalFunc::ddot_real ( const int &  dim,
const std::complex< T > *  psi_L,
const std::complex< T > *  psi_R,
const bool  reduce = true 
)
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◆ DONE()

void ModuleBase::GlobalFunc::DONE ( std::ofstream &  ofs,
const std::string &  description,
const bool  only_rank0 
)
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◆ FUNC_EACH_2() [1/3]

template<typename T1 , typename T2 , typename Ti , typename... T_tail>
void ModuleBase::GlobalFunc::FUNC_EACH_2 ( std::map< T1, T2 > &  tA,
const std::map< T1, T2 > &  tB,
std::function< void(Ti &, const Ti &, T_tail...) >  func,
const T_tail &...  t_tail 
)
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◆ FUNC_EACH_2() [2/3]

template<typename Tv , typename Ti , typename... T_tail>
void ModuleBase::GlobalFunc::FUNC_EACH_2 ( std::vector< Tv > &  tA,
const std::vector< Tv > &  tB,
std::function< void(Ti &, const Ti &, T_tail...) >  func,
const T_tail &...  t_tail 
)
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◆ FUNC_EACH_2() [3/3]

template<typename Ti , typename... T_tail>
void ModuleBase::GlobalFunc::FUNC_EACH_2 ( Ti &  tA,
const Ti &  tB,
std::function< void(Ti &, const Ti &, T_tail...) >  func,
const T_tail &...  t_tail 
)
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◆ MAKE_DIR()

void ModuleBase::GlobalFunc::MAKE_DIR ( const std::string &  fn)
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◆ MAP_EXIST() [1/4]

template<typename T_map , typename T_key1 >
const void * ModuleBase::GlobalFunc::MAP_EXIST ( const T_map &  ms,
const T_key1 &  key1 
)
inline

◆ MAP_EXIST() [2/4]

template<typename T_map , typename T_key1 , typename... T_key_tail>
const void * ModuleBase::GlobalFunc::MAP_EXIST ( const T_map &  ms,
const T_key1 &  key1,
const T_key_tail &...  key_tail 
)
inline
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◆ MAP_EXIST() [3/4]

template<typename T_map , typename T_key1 >
void * ModuleBase::GlobalFunc::MAP_EXIST ( T_map &  ms,
const T_key1 &  key1 
)
inline
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◆ MAP_EXIST() [4/4]

template<typename T_map , typename T_key1 , typename... T_key_tail>
void * ModuleBase::GlobalFunc::MAP_EXIST ( T_map &  ms,
const T_key1 &  key1,
const T_key_tail &...  key_tail 
)
inline
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◆ MemAvailable()

size_t ModuleBase::GlobalFunc::MemAvailable ( )
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◆ NEW_PART()

void ModuleBase::GlobalFunc::NEW_PART ( const std::string &  words)
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◆ NOTE()

void ModuleBase::GlobalFunc::NOTE ( const std::string &  words)
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◆ OUT() [1/5]

template<class T >
void ModuleBase::GlobalFunc::OUT ( const std::string &  name,
const T a 
)

◆ OUT() [2/5]

void ModuleBase::GlobalFunc::OUT ( std::ofstream &  ofs,
const std::string &  name 
)

◆ OUT() [3/5]

template<class T >
void ModuleBase::GlobalFunc::OUT ( std::ofstream &  ofs,
const std::string &  name,
const T a 
)

◆ OUT() [4/5]

template<class T >
void ModuleBase::GlobalFunc::OUT ( std::ofstream &  ofs,
const std::string &  name,
const T x,
const T y 
)

◆ OUT() [5/5]

template<class T >
void ModuleBase::GlobalFunc::OUT ( std::ofstream &  ofs,
const std::string &  name,
const T x,
const T y,
const T z 
)

◆ OUT_TIME()

void ModuleBase::GlobalFunc::OUT_TIME ( const std::string &  name,
time_t &  start,
time_t &  end 
)
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◆ OUTP()

template<class T >
void ModuleBase::GlobalFunc::OUTP ( std::ofstream &  ofs,
const std::string &  name,
const T a,
const std::string &  explanation = "" 
)
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◆ SCAN_BEGIN()

bool ModuleBase::GlobalFunc::SCAN_BEGIN ( std::ifstream &  ifs,
const std::string &  TargetName,
const bool  restart = true,
const bool  ifwarn = true 
)

The SCAN_BEGIN function efficiently searches text files for specified keywords

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◆ SCAN_END()

void ModuleBase::GlobalFunc::SCAN_END ( std::ifstream &  ifs,
const std::string &  TargetName,
const bool  ifwarn 
)
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◆ SCAN_LINE_BEGIN()

bool ModuleBase::GlobalFunc::SCAN_LINE_BEGIN ( std::ifstream &  ifs,
const std::string &  TargetName,
const bool  restart,
const bool  ifwarn 
)

obtain the first character, should not be #

search in each line

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◆ TEST_LEVEL()

void ModuleBase::GlobalFunc::TEST_LEVEL ( const std::string &  name,
bool  disable 
)

◆ TO_STRING()

template<typename T >
std::string ModuleBase::GlobalFunc::TO_STRING ( const T t,
const int  n = 20 
)
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◆ ZEROS() [1/2]

template<class T , class TI >
void ModuleBase::GlobalFunc::ZEROS ( std::complex< T > *  u,
const TI  n 
)
inline

◆ ZEROS() [2/2]

template<class T , class TI >
void ModuleBase::GlobalFunc::ZEROS ( T u,
const TI  n 
)
inline