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Searched refs:natn (Results 1 – 25 of 121) sorted by relevance

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/dports/science/openmx/openmx3.8/source/
H A Dread_scfout.c307 Gh_AN = natn[ct_AN][h_AN]; in Input()
328 Gh_AN = natn[ct_AN][h_AN]; in Input()
348 Gh_AN = natn[ct_AN][h_AN]; in Input()
368 Gh_AN = natn[ct_AN][h_AN]; in Input()
409 Gh_AN = natn[ct_AN][h_AN]; in Input()
431 Gh_AN = natn[ct_AN][h_AN]; in Input()
448 Gh_AN = natn[ct_AN][h_AN]; in Input()
463 Gh_AN = natn[ct_AN][h_AN]; in Input()
478 Gh_AN = natn[ct_AN][h_AN]; in Input()
493 Gh_AN = natn[ct_AN][h_AN]; in Input()
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H A DHamiltonian_Cluster_NC.c61 GB_AN = natn[GA_AN][LB_AN]; in Hamiltonian_Cluster_NC()
170 GB_AN = natn[GA_AN][LB_AN]; in Hamiltonian_Cluster_NC()
276 GB_AN = natn[GA_AN][LB_AN]; in Hamiltonian_Cluster_NC()
300 GB_AN = natn[GA_AN][LB_AN]; in Hamiltonian_Cluster_NC()
324 GB_AN = natn[GA_AN][LB_AN]; in Hamiltonian_Cluster_NC()
349 GB_AN = natn[GA_AN][LB_AN]; in Hamiltonian_Cluster_NC()
383 GB_AN = natn[GA_AN][LB_AN]; in Hamiltonian_Cluster_NC()
407 GB_AN = natn[GA_AN][LB_AN]; in Hamiltonian_Cluster_NC()
431 GB_AN = natn[GA_AN][LB_AN]; in Hamiltonian_Cluster_NC()
456 GB_AN = natn[GA_AN][LB_AN]; in Hamiltonian_Cluster_NC()
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H A Dtran_prototypes.h91 int **natn,
231 int **natn,
262 int **natn,
309 int **natn,
336 int **natn,
416 int **natn,
604 int **natn,
727 int **natn,
775 int **natn,
H A DTRAN_Output_Trans_HS.c37 int **natn,
63 int **natn,
95 int **natn, in TRAN_Output_Trans_HS() argument
124 natn, in TRAN_Output_Trans_HS()
154 natn, in TRAN_Output_Trans_HS()
191 int **natn, in TRAN_Output_Trans_HS_Normal() argument
361 Gh_AN = natn[Gc_AN][h_AN]; in TRAN_Output_Trans_HS_Normal()
431 Gh_AN = natn[Gc_AN][h_AN]; in TRAN_Output_Trans_HS_Normal()
578 Gh_AN = natn[Gc_AN][h_AN]; in TRAN_Output_Trans_HS_Normal()
753 int **natn, in TRAN_Output_Trans_HS_Direct() argument
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H A Danalysis_example_original.c110 Gh_AN = natn[ct_AN][h_AN]; in main()
163 Gh_AN = natn[ct_AN][h_AN]; in main()
215 Gh_AN = natn[ct_AN][h_AN]; in main()
271 Gh_AN = natn[ct_AN][h_AN]; in main()
H A Danalysis_example.c138 Gh_AN = natn[ct_AN][h_AN]; in main()
191 Gh_AN = natn[ct_AN][h_AN]; in main()
243 Gh_AN = natn[ct_AN][h_AN]; in main()
299 Gh_AN = natn[ct_AN][h_AN]; in main()
H A DGR_Pulay_DM.c97 Gh_AN = natn[Gc_AN][h_AN]; in GR_Pulay_DM()
146 Gh_AN = natn[Gc_AN][h_AN]; in GR_Pulay_DM()
166 Gh_AN = natn[Gc_AN][h_AN]; in GR_Pulay_DM()
209 Gh_AN = natn[Gc_AN][h_AN]; in GR_Pulay_DM()
233 Gh_AN = natn[Gc_AN][h_AN]; in GR_Pulay_DM()
262 Gh_AN = natn[Gc_AN][h_AN]; in GR_Pulay_DM()
301 Gh_AN = natn[Gc_AN][h_AN]; in GR_Pulay_DM()
362 Gh_AN = natn[Gc_AN][h_AN]; in GR_Pulay_DM()
407 Gh_AN = natn[Gc_AN][h_AN]; in GR_Pulay_DM()
448 Gh_AN = natn[Gc_AN][h_AN]; in GR_Pulay_DM()
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H A DMixing_H.c119 Gh_AN = natn[Gc_AN][h_AN]; in Pulay_Mixing_H_MultiSecant()
144 Gh_AN = natn[Gc_AN][h_AN]; in Pulay_Mixing_H_MultiSecant()
193 Gh_AN = natn[Gc_AN][h_AN]; in Pulay_Mixing_H_MultiSecant()
335 Gh_AN = natn[Gc_AN][h_AN]; in Pulay_Mixing_H_MultiSecant()
421 Gh_AN = natn[Gc_AN][h_AN]; in Pulay_Mixing_H_MultiSecant()
747 Gh_AN = natn[Gc_AN][h_AN]; in Pulay_Mixing_H_MultiSecant()
892 Gh_AN = natn[Gc_AN][h_AN]; in Pulay_Mixing_H_MultiSecant()
1054 Gh_AN = natn[Gc_AN][h_AN]; in Pulay_Mixing_H_with_One_Shot_Hessian()
1245 Gh_AN = natn[Gc_AN][h_AN]; in Pulay_Mixing_H_with_One_Shot_Hessian()
1330 Gh_AN = natn[Gc_AN][h_AN]; in Pulay_Mixing_H_with_One_Shot_Hessian()
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H A DSCF2File.c71 Gh_AN = natn[Gc_AN][h_AN]; in SCF2File()
104 Gh_AN = natn[Gc_AN][h_AN]; in SCF2File()
137 Gh_AN = natn[Gc_AN][h_AN]; in SCF2File()
202 Gh_AN = natn[Gc_AN][h_AN]; in SCF2File()
235 Gh_AN = natn[Gc_AN][h_AN]; in SCF2File()
268 Gh_AN = natn[Gc_AN][h_AN]; in SCF2File()
496 Gh_AN = natn[Gc_AN][h_AN]; in Output()
544 Gh_AN = natn[Gc_AN][h_AN]; in Output()
600 Gh_AN = natn[Gc_AN][h_AN]; in Output()
645 Gh_AN = natn[Gc_AN][h_AN]; in Output()
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H A DForce_HNL.c145 Gh_AN = natn[Gc_AN][h_AN]; in Force_HNL()
241 Gh_AN = natn[Gc_AN][h_AN]; in Force_HNL()
275 Gh_AN = natn[Gc_AN][h_AN]; in Force_HNL()
285 jg0 = natn[Gc_AN][j0]; in Force_HNL()
296 Gq_AN = natn[Gc_AN][q_AN]; in Force_HNL()
454 Gh_AN = natn[Gc_AN][h_AN]; in Force_HNL()
461 Gq_AN = natn[Gc_AN][q_AN]; in Force_HNL()
656 GSh_AN = natn[GSc_AN][Sh_AN]; in Force_HNL()
720 GSc_AN = natn[Gc_AN][Sh_AN2]; in Force_HNL()
816 Gh_AN = natn[Gc_AN][h_AN]; in Force_HNL()
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H A DADIIS_Mixing_DM.c157 Gh_AN = natn[Gc_AN][h_AN]; in ADIIS_Mixing_DM()
197 Gh_AN = natn[Gc_AN][h_AN]; in ADIIS_Mixing_DM()
216 Gh_AN = natn[Gc_AN][h_AN]; in ADIIS_Mixing_DM()
242 Gh_AN = natn[Gc_AN][h_AN]; in ADIIS_Mixing_DM()
285 Gh_AN = natn[Gc_AN][h_AN]; in ADIIS_Mixing_DM()
413 Gh_AN = natn[Gc_AN][h_AN]; in ADIIS_Mixing_DM()
457 Gh_AN = natn[Gc_AN][h_AN]; in ADIIS_Mixing_DM()
548 Gh_AN = natn[Gc_AN][h_AN]; in ADIIS_Mixing_DM()
623 Gh_AN = natn[Gc_AN][h_AN]; in ADIIS_Mixing_DM()
681 Gh_AN = natn[Gc_AN][h_AN]; in ADIIS_Mixing_DM()
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H A DEff_Hub_Pot.c78 jg = natn[Gc_AN][j]; in Eff_Hub_Pot()
127 jg = natn[Gc_AN][j]; in H_U_onsite()
170 jg = natn[Gc_AN][j]; in H_U_onsite()
272 Gh_AN = natn[Gc_AN][h_AN]; in H_U_full()
338 Gh_AN = natn[Gc_AN][h_AN]; in H_U_full()
418 jg = natn[Gc_AN][j]; in H_U_full()
432 kg = natn[Gc_AN][k]; in H_U_full()
479 jg = natn[Gc_AN][j]; in H_U_full()
502 kg = natn[Gc_AN][k]; in H_U_full()
593 jg = natn[Gc_AN][j]; in H_U_dual()
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H A DEC.c511 ig = natn[Gc_AN][i]; in EC_Col3()
519 jg = natn[Gc_AN][j]; in EC_Col3()
557 jg = natn[Gc_AN][j]; in EC_Col3()
1938 ig = natn[Gc_AN][i]; in EC_Col2()
1946 jg = natn[Gc_AN][j]; in EC_Col2()
1984 jg = natn[Gc_AN][j]; in EC_Col2()
3166 ig = natn[Gc_AN][i]; in EC_Col()
3214 jg = natn[Gc_AN][j]; in EC_Col()
4078 Gi = natn[Gc_AN][i]; in DC_NonCol()
4748 Gi = natn[Gc_AN][i]; in DC_NonCol()
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H A DDivide_Conquer.c189 Gi = natn[Gc_AN][i]; in DC_Col()
680 Gi = natn[Gc_AN][i]; in DC_Col()
722 ig = natn[Gc_AN][i]; in DC_Col()
730 jg = natn[Gc_AN][j]; in DC_Col()
1265 Gh_AN = natn[Gc_AN][h_AN]; in DC_Col()
1335 GB_AN = natn[GA_AN][j]; in DC_Col()
1552 Gi = natn[Gc_AN][i]; in DC_NonCol()
1940 Gh_AN = natn[Gc_AN][h_AN]; in DC_NonCol()
2222 Gi = natn[Gc_AN][i]; in DC_NonCol()
2264 ig = natn[Gc_AN][i]; in DC_NonCol()
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H A DDivide_Conquer_Dosout.c140 Gi = natn[Gc_AN][i]; in DC_Dosout_Col()
577 Gi = natn[Gc_AN][i]; in DC_Dosout_Col()
630 ig = natn[Gc_AN][i]; in DC_Dosout_Col()
638 jg = natn[Gc_AN][j]; in DC_Dosout_Col()
920 Gh_AN = natn[Gc_AN][h_AN]; in DC_Dosout_Col()
1103 Gi = natn[Gc_AN][i]; in DC_Dosout_NonCol()
1538 Gi = natn[Gc_AN][i]; in DC_Dosout_NonCol()
1580 ig = natn[Gc_AN][i]; in DC_Dosout_NonCol()
1588 jg = natn[Gc_AN][j]; in DC_Dosout_NonCol()
1801 Gh_AN = natn[Gc_AN][h_AN]; in DC_Dosout_NonCol()
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H A DTRAN_DFT_NC.c86 int **natn,
128 int **natn,
156 int **natn, in TRAN_DFT_NC() argument
195 natn, in TRAN_DFT_NC()
249 int **natn, in TRAN_DFT_Original() argument
321 GB_AN = natn[GA_AN][LB_AN]; in TRAN_DFT_Original()
590 GB_AN = natn[GA_AN][LB_AN]; in TRAN_DFT_Original()
629 GB_AN = natn[GA_AN][LB_AN]; in TRAN_DFT_Original()
892 int **natn, in TRAN_DFT_Kdependent()
1146 GB_AN = natn[GA_AN][LB_AN]; in TRAN_DFT_Kdependent()
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H A DDIIS_Mixing_DM.c121 Gh_AN = natn[Gc_AN][h_AN]; in DIIS_Mixing_DM()
168 Gh_AN = natn[Gc_AN][h_AN]; in DIIS_Mixing_DM()
227 Gh_AN = natn[Gc_AN][h_AN]; in DIIS_Mixing_DM()
263 Gh_AN = natn[Gc_AN][h_AN]; in DIIS_Mixing_DM()
340 Gh_AN = natn[Gc_AN][h_AN]; in DIIS_Mixing_DM()
391 Gh_AN = natn[Gc_AN][h_AN]; in DIIS_Mixing_DM()
487 Gh_AN = natn[Gc_AN][h_AN]; in DIIS_Mixing_DM()
562 Gh_AN = natn[Gc_AN][h_AN]; in DIIS_Mixing_DM()
649 Gh_AN = natn[Gc_AN][h_AN]; in DIIS_Mixing_DM()
714 Gh_AN = natn[Gc_AN][h_AN]; in DIIS_Mixing_DM()
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H A DTRAN_DFT.c114 int **natn,
153 int **natn,
181 int **natn, in TRAN_DFT() argument
217 natn, in TRAN_DFT()
607 int **natn, in TRAN_DFT_Original() argument
677 GB_AN = natn[GA_AN][LB_AN]; in TRAN_DFT_Original()
937 GB_AN = natn[GA_AN][LB_AN]; in TRAN_DFT_Original()
971 GB_AN = natn[GA_AN][LB_AN]; in TRAN_DFT_Original()
1208 int **natn, in TRAN_DFT_Kdependent()
1418 GB_AN = natn[GA_AN][LB_AN]; in TRAN_DFT_Kdependent()
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H A Dtruncation.c899 Gh_AN = natn[Gc_AN][h_AN]; in truncation()
1280 Gh_AN = natn[Gc_AN][h_AN]; in truncation()
1371 Gh_AN = natn[Gc_AN][h_AN]; in truncation()
1471 Gh_AN = natn[Gc_AN][h_AN]; in truncation()
1997 Gi = natn[Gc_AN][i]; in truncation()
2503 Gi = natn[Gc_AN][i]; in truncation()
3309 natn[ct_AN][k] = fnan2[k]; in Trn_System()
3315 natn[ct_AN][l] = snan2[k]; in Trn_System()
3692 ig = natn[Gc_AN][i]; in Set_RMI()
3697 jg = natn[Gc_AN][j]; in Set_RMI()
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H A DTRAN_Output_HKS.c186 fwrite(natn[i],sizeof(int),size1,fp); in TRAN_Output_HKS()
244 Gh_AN = natn[Gc_AN][h_AN]; in TRAN_Output_HKS()
310 Gh_AN = natn[Gc_AN][h_AN]; in TRAN_Output_HKS()
378 Gh_AN = natn[Gc_AN][h_AN]; in TRAN_Output_HKS()
448 Gh_AN = natn[Gc_AN][h_AN]; in TRAN_Output_HKS()
H A DHamiltonian_Cluster.c60 GB_AN = natn[GA_AN][LB_AN]; in Hamiltonian_Cluster()
127 GB_AN = natn[GA_AN][LB_AN]; in Hamiltonian_Cluster()
164 GB_AN = natn[GA_AN][LB_AN]; in Hamiltonian_Cluster()
H A DTRAN_Apply_Bias2e.c36 int **natn, in TRAN_Apply_Bias2e() argument
71 GB_AN = natn[GA_AN][LB_AN]; in TRAN_Apply_Bias2e()
H A DOverlap_Cluster.c60 GB_AN = natn[GA_AN][LB_AN]; in Overlap_Cluster()
130 GB_AN = natn[GA_AN][LB_AN]; in Overlap_Cluster()
169 GB_AN = natn[GA_AN][LB_AN]; in Overlap_Cluster()
/dports/lang/mono-basic/mono-basic-4.7/vbnc/vbnc/source/Types/
H A DTypeName.vb135 Dim natn As NonArrayTypeName
141 natn = TryCast(m_TypeName, NonArrayTypeName)
142 If natn IsNot Nothing Then
143 result = natn.ResolveCode(Info) AndAlso result
/dports/science/py-ase/ase-3.22.0/ase/calculators/openmx/
H A Dreader.py276 def readOverlap(atomnum, Total_NumOrbs, FNAN, natn, f): argument
284 Gh_AN = natn[ct_AN][h_AN]
290 def readHam(SpinP_switch, FNAN, atomnum, Total_NumOrbs, natn, f): argument
300 Gh_AN = natn[ct_AN][h_AN]
313 natn = ins(spl(inte(fd.read(4*sum(FNAN[1:] + 1))), cum(FNAN[1:] + 1)),
321 Hks = readHam(SpinP_switch, FNAN, atomnum, Total_NumOrbs, natn, fd)
325 OLP = readOverlap(atomnum, Total_NumOrbs, FNAN, natn, fd)
326 OLPpox = readOverlap(atomnum, Total_NumOrbs, FNAN, natn, fd)
327 OLPpoy = readOverlap(atomnum, Total_NumOrbs, FNAN, natn, fd)
328 OLPpoz = readOverlap(atomnum, Total_NumOrbs, FNAN, natn, fd)
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