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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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Functions | |
| void | test_memory (const int nat, const int ntype, const ModuleBase::Matrix3 &GGT, const ModulePW::PW_Basis *rhopw, const ModulePW::PW_Basis_K *wfcpw, const std::string chr_mixing_mode, const int chr_mixing_ndim) |
| int | cal_np (const ModuleBase::Matrix3 &GGT, const double &ggcut, const int &n1, const int &n2, const int &n3) |
| compute the number of plane waves | |
| void | print_mem (const int &nproc) |
Variables | |
| double | mporter =0.0 |
| double | mrho =0.0 |
| double | mrho_save =0.0 |
| double | mrho_core =0.0 |
| double | mRrho =0.0 |
| double | mdRrho =0.0 |
| double | mdrho =0.0 |
| double | mrho_save2 =0.0 |
| double | mvltot =0.0 |
| double | mvr =0.0 |
| double | mvrs =0.0 |
| double | mvrs1 =0.0 |
| double | mvnew =0.0 |
| double | mrhog =0.0 |
| double | mrhog_save =0.0 |
| double | mrhog_core =0.0 |
| double | mhs =0.0 |
| double | mwf =0.0 |
| double | mnonzero =0.0 |
| double | mspar_hsrho =0.0 |
| double | mgvec =0.0 |
| double | mig2fftw =0.0 |
| double | mig2fftc =0.0 |
| double | mgg =0.0 |
| double | mig123 =0.0 |
| double | mstrucFac =0.0 |
| double | meigts123 =0.0 |
| double | mtot =0.0 |
| int Cal_Test::cal_np | ( | const ModuleBase::Matrix3 & | GGT, |
| const double & | ggcut, | ||
| const int & | n1, | ||
| const int & | n2, | ||
| const int & | n3 | ||
| ) |
compute the number of plane waves
| void Cal_Test::print_mem | ( | const int & | nproc | ) |
| void Cal_Test::test_memory | ( | const int | nat, |
| const int | ntype, | ||
| const ModuleBase::Matrix3 & | GGT, | ||
| const ModulePW::PW_Basis * | rhopw, | ||
| const ModulePW::PW_Basis_K * | wfcpw, | ||
| const std::string | chr_mixing_mode, | ||
| const int | chr_mixing_ndim | ||
| ) |
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