Inheritance diagram for sc::LocalTBGrad< T >:
Collaboration diagram for sc::LocalTBGrad< T >:
Public Member Functions | |
| LocalTBGrad (T &t, const Ref< TwoBodyDerivInt > &tbdi, const Ref< PetiteList > &pl, const Ref< GaussianBasisSet > &bs, const Ref< MessageGrp > &g, double *tbg, double pm, double a, int nt=1, int tn=0, double exchange_fraction=1.0) | |
| void | run () |
| This is called with the Thread is run from a ThreadGrp. | |
 Public Member Functions inherited from sc::TBGrad< T > | |
| TBGrad (T &t, double ex=1.0) | |
| void | set_scale (double &coulombscale, double &exchangescale, int i, int j, int k, int l) const |
Public Attributes | |
| double * | tbgrad |
Protected Attributes | |
| MessageGrp * | grp_ |
| TwoBodyDerivInt * | tbi_ |
| GaussianBasisSet * | gbs_ |
| PetiteList * | rpl_ |
| Molecule * | mol_ |
| double | pmax_ |
| double | accuracy_ |
| int | threadno_ |
| int | nthread_ |
| Protected Attributes inherited from sc::TBGrad< T > | |
| T & | contribution |
| double | exchange_fraction |
Additional Inherited Members | |
| Static Public Member Functions inherited from sc::Thread | |
| static void * | run_Thread_run (void *thread) |
The documentation for this class was generated from the following file: