| /dports/science/qmcpack/qmcpack-3.11.0/tests/molecules/C2_pp/qmc_ref/ |
| H A D | vmc_short_pp_msdj-XML.out | 246 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
278 QMCHamiltonian::addOperator LocalECP to H, physical Hamiltonian
282 QMCHamiltonian::addOperator NonLocalECP to H, physical Hamiltonian
283 QMCHamiltonian::addOperatorType added type pseudo named PseudoPot
284 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
285 QMCHamiltonian::addOperatorType added type coulomb named IonIon
286 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
287 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
289 QMCHamiltonian::add2WalkerProperty added
|
| H A D | vmc_short_pp_msdj-XML-traditional.out | 242 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
274 QMCHamiltonian::addOperator LocalECP to H, physical Hamiltonian
278 QMCHamiltonian::addOperator NonLocalECP to H, physical Hamiltonian
279 QMCHamiltonian::addOperatorType added type pseudo named PseudoPot
280 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
281 QMCHamiltonian::addOperatorType added type coulomb named IonIon
282 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
283 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
285 QMCHamiltonian::add2WalkerProperty added
|
| H A D | vmc_long_pp_msdj-XML.out | 246 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
278 QMCHamiltonian::addOperator LocalECP to H, physical Hamiltonian
282 QMCHamiltonian::addOperator NonLocalECP to H, physical Hamiltonian
283 QMCHamiltonian::addOperatorType added type pseudo named PseudoPot
284 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
285 QMCHamiltonian::addOperatorType added type coulomb named IonIon
286 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
287 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
289 QMCHamiltonian::add2WalkerProperty added
|
| /dports/science/qmcpack/qmcpack-3.11.0/src/Estimators/tests/ |
| H A D | test_local_energy_est.cpp | 50 QMCHamiltonian H;
79 QMCHamiltonian H;
|
| /dports/science/qmcpack/qmcpack-3.11.0/tests/solids/LiH_solid_1x1x1_pp/qmc-ref/ |
| H A D | hf_vmc_dmcnl_ref_LiH-arb.out | 261 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
306 QMCHamiltonian::addOperator LocalECP to H, physical Hamiltonian
307 QMCHamiltonian::addOperatorType added type pseudo named PseudoPot
322 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
323 QMCHamiltonian::addOperatorType added type coulomb named IonIon
334 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
335 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
336 QMCHamiltonian::addOperator Flux to auxH
337 QMCHamiltonian::addOperatorType added type flux named Flux
339 QMCHamiltonian::add2WalkerProperty added
|
| H A D | hf_vmc_dmc_ref_LiH-x.out | 265 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
310 QMCHamiltonian::addOperator LocalECP to H, physical Hamiltonian
311 QMCHamiltonian::addOperatorType added type pseudo named PseudoPot
326 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
327 QMCHamiltonian::addOperatorType added type coulomb named IonIon
338 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
339 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
340 QMCHamiltonian::addOperator Flux to auxH
341 QMCHamiltonian::addOperatorType added type flux named Flux
343 QMCHamiltonian::add2WalkerProperty added
|
| H A D | hf_vmc_dmcnl_ref_LiH-gamma.out | 265 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
310 QMCHamiltonian::addOperator LocalECP to H, physical Hamiltonian
311 QMCHamiltonian::addOperatorType added type pseudo named PseudoPot
326 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
327 QMCHamiltonian::addOperatorType added type coulomb named IonIon
338 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
339 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
340 QMCHamiltonian::addOperator Flux to auxH
341 QMCHamiltonian::addOperatorType added type flux named Flux
343 QMCHamiltonian::add2WalkerProperty added
|
| H A D | hf_vmc_dmcnl_ref_LiH-x.out | 265 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
310 QMCHamiltonian::addOperator LocalECP to H, physical Hamiltonian
311 QMCHamiltonian::addOperatorType added type pseudo named PseudoPot
326 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
327 QMCHamiltonian::addOperatorType added type coulomb named IonIon
338 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
339 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
340 QMCHamiltonian::addOperator Flux to auxH
341 QMCHamiltonian::addOperatorType added type flux named Flux
343 QMCHamiltonian::add2WalkerProperty added
|
| H A D | hf_vmc_dmc_ref_LiH-arb.out | 261 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
306 QMCHamiltonian::addOperator LocalECP to H, physical Hamiltonian
307 QMCHamiltonian::addOperatorType added type pseudo named PseudoPot
322 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
323 QMCHamiltonian::addOperatorType added type coulomb named IonIon
334 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
335 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
336 QMCHamiltonian::addOperator Flux to auxH
337 QMCHamiltonian::addOperatorType added type flux named Flux
339 QMCHamiltonian::add2WalkerProperty added
|
| H A D | hf_vmc_dmc_ref_LiH-gamma.out | 265 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
310 QMCHamiltonian::addOperator LocalECP to H, physical Hamiltonian
311 QMCHamiltonian::addOperatorType added type pseudo named PseudoPot
326 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
327 QMCHamiltonian::addOperatorType added type coulomb named IonIon
338 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
339 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
340 QMCHamiltonian::addOperator Flux to auxH
341 QMCHamiltonian::addOperatorType added type flux named Flux
343 QMCHamiltonian::add2WalkerProperty added
|
| /dports/science/qmcpack/qmcpack-3.11.0/tests/molecules/C4_ae/qmc_ref/ |
| H A D | det_qmc_short-SD-C4_AE_Mol_QP.out | 150 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
156 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
157 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
158 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
159 QMCHamiltonian::addOperatorType added type coulomb named IonIon
160 QMCHamiltonian::addOperator IonElec to H, physical Hamiltonian
161 QMCHamiltonian::addOperatorType added type coulomb named IonElec
163 QMCHamiltonian::add2WalkerProperty added
|
| H A D | qmc_ref-MD-C4_AE_Mol_Excited_QP.output | 147 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
153 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
154 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
155 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
156 QMCHamiltonian::addOperatorType added type coulomb named IonIon
157 QMCHamiltonian::addOperator IonElec to H, physical Hamiltonian
158 QMCHamiltonian::addOperatorType added type coulomb named IonElec
160 QMCHamiltonian::add2WalkerProperty added
|
| H A D | qmc_short-MD-C4_AE_Mol_Excited_QP.output | 147 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
153 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
154 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
155 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
156 QMCHamiltonian::addOperatorType added type coulomb named IonIon
157 QMCHamiltonian::addOperator IonElec to H, physical Hamiltonian
158 QMCHamiltonian::addOperatorType added type coulomb named IonElec
160 QMCHamiltonian::add2WalkerProperty added
|
| H A D | det_qmc_short-MD-C4_AE_Mol_Excited_QP.out | 147 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
153 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
154 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
155 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
156 QMCHamiltonian::addOperatorType added type coulomb named IonIon
157 QMCHamiltonian::addOperator IonElec to H, physical Hamiltonian
158 QMCHamiltonian::addOperatorType added type coulomb named IonElec
160 QMCHamiltonian::add2WalkerProperty added
|
| H A D | qmc_ref-MD-C4_AE_Mol_Ground_QP.output | 147 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
153 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
154 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
155 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
156 QMCHamiltonian::addOperatorType added type coulomb named IonIon
157 QMCHamiltonian::addOperator IonElec to H, physical Hamiltonian
158 QMCHamiltonian::addOperatorType added type coulomb named IonElec
160 QMCHamiltonian::add2WalkerProperty added
|
| H A D | qmc_short-MD-C4_AE_Mol_Ground_QP.output | 147 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
153 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
154 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
155 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
156 QMCHamiltonian::addOperatorType added type coulomb named IonIon
157 QMCHamiltonian::addOperator IonElec to H, physical Hamiltonian
158 QMCHamiltonian::addOperatorType added type coulomb named IonElec
160 QMCHamiltonian::add2WalkerProperty added
|
| H A D | qmc_short-SD-C4_AE_Mol_QP.output | 150 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
156 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
157 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
158 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
159 QMCHamiltonian::addOperatorType added type coulomb named IonIon
160 QMCHamiltonian::addOperator IonElec to H, physical Hamiltonian
161 QMCHamiltonian::addOperatorType added type coulomb named IonElec
163 QMCHamiltonian::add2WalkerProperty added
|
| H A D | det_qmc_short-MD-C4_AE_Mol_Ground_QP.out | 147 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
153 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
154 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
155 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
156 QMCHamiltonian::addOperatorType added type coulomb named IonIon
157 QMCHamiltonian::addOperator IonElec to H, physical Hamiltonian
158 QMCHamiltonian::addOperatorType added type coulomb named IonElec
160 QMCHamiltonian::add2WalkerProperty added
|
| H A D | qmc_long-SD-C4_AE_Mol_QP.output | 150 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
156 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
157 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
158 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
159 QMCHamiltonian::addOperatorType added type coulomb named IonIon
160 QMCHamiltonian::addOperator IonElec to H, physical Hamiltonian
161 QMCHamiltonian::addOperatorType added type coulomb named IonElec
163 QMCHamiltonian::add2WalkerProperty added
|
| H A D | qmc_ref-SD-C4_AE_Mol_QP.output | 150 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
156 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
157 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
158 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
159 QMCHamiltonian::addOperatorType added type coulomb named IonIon
160 QMCHamiltonian::addOperator IonElec to H, physical Hamiltonian
161 QMCHamiltonian::addOperatorType added type coulomb named IonElec
163 QMCHamiltonian::add2WalkerProperty added
|
| /dports/science/qmcpack/qmcpack-3.11.0/tests/molecules/LiH_ae_qp/qmc-ref/ |
| H A D | vmc_short_noj.out | 174 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
175 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
176 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
183 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
184 QMCHamiltonian::addOperatorType added type coulomb named IonIon
185 QMCHamiltonian::addOperator IonElec to H, physical Hamiltonian
186 QMCHamiltonian::addOperatorType added type coulomb named IonElec
188 QMCHamiltonian::add2WalkerProperty added
|
| H A D | vmc_long_noj.out | 174 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
175 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
176 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
183 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
184 QMCHamiltonian::addOperatorType added type coulomb named IonIon
185 QMCHamiltonian::addOperator IonElec to H, physical Hamiltonian
186 QMCHamiltonian::addOperatorType added type coulomb named IonElec
188 QMCHamiltonian::add2WalkerProperty added
|
| /dports/science/qmcpack/qmcpack-3.11.0/tests/molecules/LiH_ae_MSD/qmc-ref/ |
| H A D | qmc-ref-vmc-long-noj.out | 165 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
166 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
167 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
168 QMCHamiltonian::addOperator IonIon to H, physical Hamiltonian
169 QMCHamiltonian::addOperatorType added type coulomb named IonIon
170 QMCHamiltonian::addOperator IonElec to H, physical Hamiltonian
171 QMCHamiltonian::addOperatorType added type coulomb named IonElec
173 QMCHamiltonian::add2WalkerProperty added
|
| /dports/science/qmcpack/qmcpack-3.11.0/tests/heg/heg_14_gamma/qmc-ref/ |
| H A D | heg-SJ.out | 165 QMCHamiltonian::addOperator Kinetic to H, physical Hamiltonian
189 QMCHamiltonian::addOperator ElecElec to H, physical Hamiltonian
190 QMCHamiltonian::addOperatorType added type coulomb named ElecElec
199 QMCHamiltonian::addOperator gr to auxH
200 QMCHamiltonian::addOperatorType added type gofr named gr
202 QMCHamiltonian::add2WalkerProperty added
|
| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/CorrelatedSampling/ |
| H A D | CSUpdateBase.h | 32 std::vector<QMCHamiltonian*>& h,
55 std::vector<QMCHamiltonian*> H1;
|