29 #ifndef _chemistry_qc_mbpt_csgrad34qb_h 30 #define _chemistry_qc_mbpt_csgrad34qb_h 36 #include <util/misc/regtime.h> 37 #include <util/group/memory.h> 38 #include <util/group/thread.h> 39 #include <chemistry/qc/basis/integral.h> 40 #include <chemistry/qc/basis/distshpair.h> 59 int aointder_computed;
66 double print_percent_;
74 int me_a,
int nproc_a,
81 int nocc_a,
int nfzc_a,
82 double **scf_vector_a,
83 double tol_a,
int debug_a,
84 int dynamic_a,
double print_percent_a,
86 int dograd_a,
int natom_a);
89 void set_i_offset(
int ioff) { i_offset = ioff; }
90 void set_ni(
int nivalue) { ni = nivalue; }
92 double *get_Lpi() {
return Lpi ;}
93 double **get_ginter() {
return ginter ;}
94 int get_aointder_computed() {
return aointder_computed ;}
This is used to store data that must be shared between all cooperating shell pairs.
Definition: distshpair.h:52
The Thread abstract class defines an interface which must be implemented by classes wishing to be run...
Definition: thread.h:79
A template class that maintains references counts.
Definition: ref.h:332
Definition: csgrad34qb.h:44
void run()
This is called with the Thread is run from a ThreadGrp.