Searched refs:detlist (Results 1 – 7 of 7) sorted by relevance
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCTools/ |
H A D | QMCGaussianParserBase.cpp | 927 xmlNodePtr detlist = xmlNewNode(NULL, (const xmlChar*)"detlist"); in createMultiDeterminantSetCIHDF5() local 937 xmlNewProp(detlist, (const xmlChar*)"type", (const xmlChar*)"DETS"); in createMultiDeterminantSetCIHDF5() 1023 xmlAddChild(multislaterdet, detlist); in createMultiDeterminantSetCIHDF5() 1039 xmlNodePtr detlist = xmlNewNode(NULL, (const xmlChar*)"detlist"); in createMultiDeterminantSet() local 1143 xmlAddChild(detlist, csf); in createMultiDeterminantSet() 1147 xmlAddChild(multislaterdet, detlist); in createMultiDeterminantSet() 1152 xmlNodePtr detlist = xmlNewNode(NULL, (const xmlChar*)"detlist"); in createMultiDeterminantSet() local 1211 xmlAddChild(detlist, ci); in createMultiDeterminantSet() 1214 xmlAddChild(multislaterdet, detlist); in createMultiDeterminantSet() 2397 xmlNodePtr detlist = xmlNewNode(NULL, (const xmlChar*)"detlist"); in createMultiDeterminantSetFromH5() local [all …]
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/dports/science/qmcpack/qmcpack-3.11.0/nexus/lib/ |
H A D | qmcpack.py | 262 detlist = dset.get('detlist') 263 if detlist is not None and 'href' in detlist: 264 detlist.href = orb_path
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H A D | qmcpack_input.py | 1963 class detlist(QIxml): class 2623 multideterminant,detlist,ci,mcwalkerset,csf,det,
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/dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/wavefunction/ |
H A D | Slat_wf_data.cpp | 496 Array1 <int> detlist(ndet); in writeinput() local 503 detlist(counter_old++)=det_pos(list(csf))(j); in writeinput() 514 occupation_orig_print(f,det,s)=occupation_orig(f,detlist(det),s); in writeinput()
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/dports/science/qmcpack/qmcpack-3.11.0/docs/ |
H A D | lab_advanced_molecules.rst | 497 parameter in detlist to 0.01. Then follow the same steps used in Section 512 …p convergence. You will need to modify the file and change the cutoff in detlist to 0.0075 with a … 1140 <detlist size="97" type="CSF" nca="0" ncb="0" nea="4" neb="4" nstates="8" cutoff="0.001"> 1145 </detlist> 1179 - size (in detlist ): Contains the number of configurations in the
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H A D | additional_tools.rst | 337 …<detlist size="202" type="DETS" nca="0" ncb="0" nea="4" neb="4" nstates="58" cutoff="1e-20" href="…
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H A D | methods.rst | 1139 …<detlist size="1487" type="DETS" nca="0" ncb="0" nea="2" neb="2" nstates="85" cutoff="1e-2" href="…
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