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Searched refs:num_te_types (Results 1 – 25 of 25) sorted by relevance

/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/
H A Dr12ia_node0file.cc55 …ntsAcc_Node0File::R12IntsAcc_Node0File(Ref<MemoryGrp>& mem, const char* filename, int num_te_types, in R12IntsAcc_Node0File() argument
57 R12IntsAcc(num_te_types, ni, nj, nx, ny) in R12IntsAcc_Node0File()
80 for(int oper_type=0; oper_type<num_te_types(); oper_type++) in ~R12IntsAcc_Node0File()
208 … distsize_t moffset = (distsize_t)local_ij_index*blksize_memgrp*num_te_types() + mem->offset(proc); in store_memorygrp()
209 for(int te_type=0; te_type < num_te_types(); te_type++) { in store_memorygrp()
223 … data = (double *) ((size_t)mem->localdata() + blksize_memgrp*num_te_types()*local_ij_index); in store_memorygrp()
224 for(int te_type=0; te_type < num_te_types(); te_type++) { in store_memorygrp()
H A Dtransform_12inds.cc140 const int num_te_types = tform_->num_te_types(); in run() local
151 …double **rsiq_ints = new double*[num_te_types]; // quarter-transformed integrals for each RS p… in run()
152 for(int te_type=0;te_type<num_te_types;te_type++) { in run()
185 for(int te_type=0;te_type<num_te_types;te_type++) { in run()
219 for(int te_type=0;te_type<num_te_types;te_type++) in run()
253 for(int te_type=0; te_type<num_te_types; te_type++) { in run()
365 for(int te_type=0; te_type<num_te_types; te_type++) { in run()
406 const size_t ijrs_start = (size_t)(num_te_types*ij_index + te_type) * memgrp_blksize; in run()
431 for(int te_type=0; te_type<num_te_types; te_type++) { in run()
H A Dtransform_123inds.cc148 const int num_te_types = tform_->num_te_types(); in run() local
160 …double **rsiq_ints = new double*[num_te_types]; // quarter-transformed integrals for each RS p… in run()
161 …double **rsix_ints = new double*[num_te_types]; // 2 quarter-transformed integrals for each RS… in run()
162 for(int te_type=0;te_type<num_te_types;te_type++) { in run()
200 for(int te_type=0;te_type<num_te_types;te_type++) { in run()
238 for(int te_type=0;te_type<num_te_types;te_type++) in run()
272 for(int te_type=0; te_type<num_te_types; te_type++) { in run()
390 for(int te_type=0; te_type<num_te_types; te_type++) { in run()
452 for(int te_type=0; te_type<num_te_types; te_type++) { in run()
463 const size_t ijsx_start = (size_t)(num_te_types*ij_index + te_type) * memgrp_blksize; in run()
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H A Dtransform_13inds.cc140 const int num_te_types = tform_->num_te_types(); in run() local
152 …double **rsiq_ints = new double*[num_te_types]; // quarter-transformed integrals for each RS p… in run()
153 for(int te_type=0;te_type<num_te_types;te_type++) { in run()
190 for(int te_type=0;te_type<num_te_types;te_type++) { in run()
226 for(int te_type=0;te_type<num_te_types;te_type++) in run()
260 for(int te_type=0; te_type<num_te_types; te_type++) { in run()
368 for(int te_type=0; te_type<num_te_types; te_type++) { in run()
379 const size_t ijsq_start = (size_t)(num_te_types*ij_index + te_type) * memgrp_blksize; in run()
476 for(int te_type=0; te_type<num_te_types; te_type++) { in run()
H A Dr12ia_memgrp.cc47 R12IntsAcc_MemoryGrp::R12IntsAcc_MemoryGrp(Ref<MemoryGrp>& mem, int num_te_types, int ni, int nj, i… in R12IntsAcc_MemoryGrp() argument
48 R12IntsAcc(num_te_types, ni, nj, nx, ny), blksize_memgrp_(blksize_) in R12IntsAcc_MemoryGrp()
69 for(int oper_type=0; oper_type<num_te_types(); oper_type++) in ~R12IntsAcc_MemoryGrp()
104 pairblk_[ij].offset_ = (distsize_t)local_ij_index*blksize_memgrp_*num_te_types() + in init()
138 blksize_memgrp_*num_te_types()*local_ij_index); in store_memorygrp()
H A Ddualbasis_mp2.cc60 const int num_te_types = 1; in compute_dualEmp2_() local
77 ipjq_tform->set_num_te_types(num_te_types); in compute_dualEmp2_()
80 if (num_te_types != ijpq_acc->num_te_types()) in compute_dualEmp2_()
181 const int num_te_types = 1; in compute_dualEmp1_() local
H A Dr12ia_mpiiofile.cc72 for(int oper_type=0; oper_type<num_te_types(); oper_type++) in ~R12IntsAcc_MPIIOFile()
94 nints_per_block_ = nxy_*num_te_types(); in init()
208 …PIIOFile_Ind::R12IntsAcc_MPIIOFile_Ind(Ref<MemoryGrp>& mem, const char* filename, int num_te_types, in R12IntsAcc_MPIIOFile_Ind() argument
210 R12IntsAcc_MPIIOFile(mem,filename,num_te_types,ni,nj,nx,ny) in R12IntsAcc_MPIIOFile_Ind()
268 …double *data = (double *) ((size_t)mem->localdata() + blksize_memgrp*num_te_types()*local_ij_index… in store_memorygrp()
269 for(int te_type=0; te_type < num_te_types(); te_type++) { in store_memorygrp()
H A Dtransform_tbint.cc124 TwoBodyMOIntsTransform::set_num_te_types(const int num_te_types) in set_num_te_types() argument
127 if (num_te_types < 1 || num_te_types > TwoBodyInt::num_tbint_types) in set_num_te_types()
129 num_te_types_ = num_te_types; in set_num_te_types()
174 TwoBodyMOIntsTransform::num_te_types() const { return num_te_types_; } in num_te_types() function in TwoBodyMOIntsTransform
H A Dr12ia_mpiiofile.h78 R12IntsAcc_MPIIOFile(Ref<MemoryGrp>& mem, const char *filename, int num_te_types,
120 R12IntsAcc_MPIIOFile_Ind(Ref<MemoryGrp>& mem, const char *filename, int num_te_types,
H A Dr12ia.h93 R12IntsAcc(int num_te_types, int ni, int nj, int nx, int ny);
103 int num_te_types() const { return num_te_types_; }; in num_te_types() function
H A Dgbc_contribs.cc71 const int num_te_types = 2; in compute_B_gbc_1_() local
104 imjA_tform->set_num_te_types(num_te_types); in compute_B_gbc_1_()
111 iMfjA_tform->set_num_te_types(num_te_types); in compute_B_gbc_1_()
224 iMfja_tform->set_num_te_types(num_te_types); in compute_B_gbc_1_()
354 const int num_te_types = 2; // only integrals of r_{12} are needed in compute_B_gbc_2_() local
396 imjA_tform->set_num_te_types(num_te_types); in compute_B_gbc_2_()
403 kmlfA_tform->set_num_te_types(num_te_types); in compute_B_gbc_2_()
410 lfmkA_tform->set_num_te_types(num_te_types); in compute_B_gbc_2_()
513 kplfq_tform->set_num_te_types(num_te_types); in compute_B_gbc_2_()
H A Dr12ia.cc48 R12IntsAcc::R12IntsAcc(int num_te_types, int ni, int nj, int nx, int ny) : in R12IntsAcc() argument
49 num_te_types_(num_te_types), ni_(ni), nj_(nj), nx_(nx), ny_(ny) in R12IntsAcc()
H A Dtransform_ijxy.cc184 int num_te_types = iacc->num_te_types(); in check_int_symm() local
208 for(int t=0; t<num_te_types; t++) { in check_int_symm()
H A Dtransform_ikjy.cc185 int num_te_types = iacc->num_te_types(); in check_int_symm() local
209 for(int t=0; t<num_te_types; t++) { in check_int_symm()
H A Dtransform_ixjy.cc192 int num_te_types = iacc->num_te_types(); in check_int_symm() local
216 for(int t=0; t<num_te_types; t++) { in check_int_symm()
H A Dexchange.cc58 const int num_te_types = 1; in exchange_() local
75 mxny_tform->set_num_te_types(num_te_types); in exchange_()
H A Dcoulomb.cc58 const int num_te_types = 1; in coulomb_() local
75 mnxy_tform->set_num_te_types(num_te_types); in coulomb_()
H A Dtransform_tbint.h173 int num_te_types() const;
184 void set_num_te_types(const int num_te_types);
H A Dcompute_a_gebc_abs1.cc63 const int num_te_types = 4; in abs1_contrib_to_VXB_gebc_() local
80 ikjy_tform->set_num_te_types(num_te_types); in abs1_contrib_to_VXB_gebc_()
83 if (num_te_types != ijky_acc->num_te_types()) in abs1_contrib_to_VXB_gebc_()
H A Dcompute_a_gebc.cc67 const int num_te_types = 3; in obs_contrib_to_VXB_gebc_vbseqobs_() local
83 ipjq_tform->set_num_te_types(num_te_types); in obs_contrib_to_VXB_gebc_vbseqobs_()
86 if (num_te_types != ipjq_acc->num_te_types()) in obs_contrib_to_VXB_gebc_vbseqobs_()
H A Dcompute_vxb_a_symm.cc64 const int num_te_types = 3; in contrib_to_VXB_a_symm_() local
79 if (num_te_types != ijpq_acc->num_te_types()) in contrib_to_VXB_a_symm_()
H A Dr12ia_node0file.h77 … R12IntsAcc_Node0File(Ref<MemoryGrp>& mem, const char *filename, int num_te_types, int ni, int nj,
H A Dr12ia_memgrp.h69 R12IntsAcc_MemoryGrp(Ref<MemoryGrp>&, int num_te_types, int ni, int nj, int nx, int ny);
H A Dcompute_vxb_a_asymm.cc64 const int num_te_types = 4; in contrib_to_VXB_a_asymm_() local
79 if (num_te_types != ijky_acc->num_te_types()) in contrib_to_VXB_a_asymm_()
H A Debc_contribs.cc341 const int num_te_types = 2; in compute_A_simple_() local
379 iajBf_tform->set_num_te_types(num_te_types); in compute_A_simple_()