MPQC  2.3.1
Public Member Functions | Public Attributes | Protected Attributes | List of all members
sc::LocalTBGrad< T > Class Template Reference
Inheritance diagram for sc::LocalTBGrad< T >:
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Collaboration diagram for sc::LocalTBGrad< T >:
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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

MessageGrpgrp_
 
TwoBodyDerivInttbi_
 
GaussianBasisSetgbs_
 
PetiteListrpl_
 
Moleculemol_
 
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:

Generated at Sun Jan 26 2020 23:33:07 for MPQC 2.3.1 using the documentation package Doxygen 1.8.16.