| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCHamiltonians/tests/ |
| H A D | test_PairCorrEstimator.cpp | 160 auto gofr = elec->Collectables; variable
176 … << std::setw(12) << gofr[i + Nbins] << " " << std::setw(12) << gofr[i + 2 * Nbins] << "\n";
189 REQUIRE(std::fabs(gofr[49] - 0.00000000) < eps);
190 REQUIRE(std::fabs(gofr[148] - 23.6361163) < eps);
191 REQUIRE(std::fabs(gofr[247] - 0.00000000) < eps);
195 REQUIRE(std::fabs(gofr[70] - 15.536547) < eps);
196 REQUIRE(std::fabs(gofr[169] - 0.0000000) < eps);
197 REQUIRE(std::fabs(gofr[268] - 15.536547) < eps);
200 REQUIRE(std::fabs(gofr[85] - 0.00000000) < eps);
201 REQUIRE(std::fabs(gofr[184] - 2.6408410) < eps);
[all …]
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| /dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-COMPUTE/ |
| H A D | compute_entropy_atom.cpp | 221 double *gofr = new double[nbin]; in compute_peratom() local
251 for (int k=0;k<nbin;++k) gofr[k]=0.; in compute_peratom()
274 gofr[k] += invNormKernel*exp(-distance*distance/sigmasq2); in compute_peratom()
281 if (gofr[k]<1.e-10) { in compute_peratom()
284 integrand[k] = (gofr[k]*log(gofr[k])-gofr[k]+1)*rbinsq[k]; in compute_peratom()
300 delete [] gofr; in compute_peratom()
|
| /dports/science/lammps/lammps-stable_29Sep2021/examples/rdf-adf/ |
| H A D | in.spce | 39 compute gofr all rdf 100 1 1 2 2 1 2 # O-O, H-H, O-H
|
| H A D | log.27Nov18.spce.g++.1 | 122 compute gofr all rdf 100 1 1 2 2 1 2 # O-O, H-H, O-H
|
| H A D | log.27Nov18.spce.g++.4 | 122 compute gofr all rdf 100 1 1 2 2 1 2 # O-O, H-H, O-H
|
| /dports/science/qmcpack/qmcpack-3.11.0/tests/heg/heg_14_gamma/qmc-ref/ |
| H A D | heg-HF.out | 178 QMCHamiltonian::addOperatorType added type gofr named gr
263 Using CollectablesEstimator for collectables, e.g. sk, gofr, density
|
| H A D | heg-SJ.out | 200 QMCHamiltonian::addOperatorType added type gofr named gr
285 Using CollectablesEstimator for collectables, e.g. sk, gofr, density
|
| H A D | heg-SJB.out | 230 QMCHamiltonian::addOperatorType added type gofr named gr
315 Using CollectablesEstimator for collectables, e.g. sk, gofr, density
|
| H A D | heg-SJ-dmc.out | 200 QMCHamiltonian::addOperatorType added type gofr named gr
284 Using CollectablesEstimator for collectables, e.g. sk, gofr, density
|
| /dports/games/kmahjongg/kmahjongg-21.12.3/layouts/ |
| H A D | mask.desktop | 71 Description[lv]=Biedējoša, gofrēta pagānu maska
|
| H A D | star.desktop | 73 Description[lv]=Zvaigznes formas gofrēts izkārtojums
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| H A D | totem.desktop | 70 Description[lv]='T' formas gofrēts priekšmets ar caurumu
|
| /dports/science/qmcpack/qmcpack-3.11.0/docs/ |
| H A D | hamiltonianobservable.rst | 501 (``gofr``), static structure factor (``sk``), static structure factor
528 …| | gofr | Pair correlation function (quantum species) |
834 ``estimator type=gofr`` element:
847 …type``:math:`^r` | text | **gofr** | | Must …
900 <estimator type="gofr" name="gofr" num_bin="200" rmax="3.0" />
906 <estimator type="gofr" name="gofr" num_bin="200" rmax="3.0" source="ion0" />
|
| H A D | developing.rst | 951 …tantiate this observable if an XML node is found requesting it. Look for "gofr" in HamiltonianFact…
|
| /dports/science/qmcpack/qmcpack-3.11.0/nexus/tests/unit/test_qmcpack_analyzer_files/diamond_gamma/dmc/ |
| H A D | dmc.out | 413 Using CollectablesEstimator for collectables, e.g. sk, gofr, density
|
| /dports/science/qmcpack/qmcpack-3.11.0/nexus/lib/ |
| H A D | qmcpack_input.py | 2297 class gofr(QIxml): class
2344 gofr = gofr,
2627 backflow,transformation,cubicgrid,molecular_orbital_builder,cmc,sk,skall,gofr,
|
| /dports/mail/thunderbird-dictionaries/dictionaries/spell-lv-LV.xpi/ |
| H A D | lv-LV.dic | 59112 gofr�jies/�
59113 gofr�jiet/�
59127 gofr�juma/�
59128 gofr�jumi/�
59130 gofr�jumu/�
59131 gofr�jum�/�
59153 gofr�tai/�
59161 gofr�tam/�
59162 gofr�tas/�
59171 gofr�t�m/�
[all …]
|
| /dports/games/tuxpaint/tuxpaint-0.9.26/src/po/ |
| H A D | lv.po | 1015 msgstr "Nospied, pieturi peles pogu un velc peli lai gofrētu bildi."
|
| /dports/editors/neovim/neovim-0.6.1/runtime/keymap/ |
| H A D | korean-dubeolsik_utf-8.vim | 10706 gofr 핽
|
| /dports/editors/vim/vim-8.2.3745/runtime/keymap/ |
| H A D | korean-dubeolsik_utf-8.vim | 10706 gofr 핽
|
| /dports/accessibility/speech-dispatcher/speech-dispatcher-0.10.2/locale/pl/ |
| H A D | emojis.dic | 686 �� gofr none
|
| /dports/accessibility/py-speech-dispatcher/speech-dispatcher-0.10.2/locale/pl/ |
| H A D | emojis.dic | 686 �� gofr none
|
| /dports/graphics/gimp-app/gimp-2.10.30/po-plug-ins/ |
| H A D | lv.po | 2036 msgstr "Imitēt attēlu, ko iegūst ar gofrēšanu"
8914 msgstr "Norāda, kādu gofrēšanas apjomu veikt attēlam (procentos)"
9279 msgstr "Uzlikt papīru kāds tas ir (bez gofrēšanas)"
|
| /dports/accessibility/speech-dispatcher/speech-dispatcher-0.10.2/locale/ro/ |
| H A D | emojis.dic | 686 �� gofră none
|
| /dports/accessibility/py-speech-dispatcher/speech-dispatcher-0.10.2/locale/ro/ |
| H A D | emojis.dic | 686 �� gofră none
|