27 #ifdef USE_CHUNKS_AND_TASKS
29 #include "chunks_and_tasks.h"
30 #include "cht_type_lib.h"
31 #include "cht_matrix_lib.h"
38 class CreateAtomCenteredBasisSet :
public cht::Task {
40 cht::ID execute(
const chttl::ChunkVector<Atom> &,
const cht::ChunkID &,
const cht::ChunkID &,
const chttl::ChunkBasic<ergo_real> &);
41 CHT_TASK_INPUT((chttl::ChunkVector<Atom>,
44 chttl::ChunkBasic<ergo_real>
46 CHT_TASK_OUTPUT((DistrBasisSetChunk));
47 CHT_TASK_TYPE_DECLARATION;
50 class SetFuncIndexesForBasisSet :
public cht::Task {
52 cht::ID execute(
const DistrBasisSetChunk &,
const chttl::ChunkVector<int> &);
53 CHT_TASK_INPUT((DistrBasisSetChunk, chttl::ChunkVector<int>));
54 CHT_TASK_OUTPUT((DistrBasisSetChunk));
55 CHT_TASK_TYPE_DECLARATION;
58 class SetExtentsForBasisSet :
public cht::Task {
60 cht::ID execute(
const DistrBasisSetChunk &,
const chttl::ChunkBasic<ergo_real> &);
61 CHT_TASK_INPUT((DistrBasisSetChunk, chttl::ChunkBasic<ergo_real>));
62 CHT_TASK_OUTPUT((DistrBasisSetChunk));
63 CHT_TASK_TYPE_DECLARATION;
66 class GetLargestSimpleIntegralForBasisSet :
public cht::Task {
68 cht::ID execute(
const DistrBasisSetChunk &);
69 CHT_TASK_INPUT((DistrBasisSetChunk));
70 CHT_TASK_OUTPUT((chttl::ChunkBasic<ergo_real>));
71 CHT_TASK_TYPE_DECLARATION;
78 class GetBasisSetCoords :
public cht::Task {
80 cht::ID execute(
const DistrBasisSetChunk &);
81 CHT_TASK_INPUT((DistrBasisSetChunk));
82 CHT_TASK_OUTPUT((chttl::ChunkVector<CoordStruct>));
83 CHT_TASK_TYPE_DECLARATION;
double ergo_real
Definition: realtype.h:53