ergo
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#include <functionals.h>
Public Attributes | |
const char * | name |
IsGGAFunc | is_gga |
ReadInputFunc | read |
ReportFunc | report |
EnergyFunc | func |
FirstOrderFun | first |
SecondOrderFun | second |
ThirdOrderFun | third |
FourthOrderFun | fourth |
FirstOrderFun Functional_::first |
Referenced by cam_first(), dftpot0_(), dftptf0_(), gga_first(), lb94_first(), lda_first(), and test_derivatives().
FourthOrderFun Functional_::fourth |
Referenced by cam_fourth(), dftpot1_(), gga_fourth(), lb94_third(), lda_fourth(), and test_derivatives().
EnergyFunc Functional_::func |
Referenced by callbackGga(), callbackLda(), cam_energy(), cam_first(), cam_fourth(), cam_second(), cam_third(), dftene_(), gga_energy(), lb94_energy(), lda_energy(), and test_derivatives().
IsGGAFunc Functional_::is_gga |
const char* Functional_::name |
Referenced by cam_report(), dftreport_(), gga_report(), and test_derivatives().
ReadInputFunc Functional_::read |
Referenced by fun_select_by_name(), and main().
ReportFunc Functional_::report |
Referenced by dftreport_(), and main().
SecondOrderFun Functional_::second |
Referenced by cam_second(), dftpot1_(), gga_second(), lb94_second(), lda_second(), and test_derivatives().
ThirdOrderFun Functional_::third |
Referenced by becke_fourth(), cam_third(), dftpot1_(), gga_third(), lb94_third(), lda_third(), lyp_fourth(), and test_derivatives().