Searched refs:meshfactor (Results 1 – 13 of 13) sorted by relevance
/dports/science/qmcpack/qmcpack-3.11.0/labs/lab4_condensed_matter/ |
H A D | graphene-final.py | 170 meshfactor = xxx, 204 meshfactor = 1.0,
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H A D | graphene-loop-mesh.py | 174 meshfactor = factor,
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/dports/science/qmcpack/qmcpack-3.11.0/nexus/tests/unit/ |
H A D | test_qmcpack_input.py | 729 meshfactor = 1.0, 1524 meshfactor = sb.meshfactor, 1636 meshfactor = sb.meshfactor,
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H A D | test_xmlreader.py | 233 meshfactor = '1.0',
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/dports/science/qmcpack/qmcpack-3.11.0/nexus/examples/qmcpack/rsqmc_quantum_espresso/02_diamond_dft_vmc_twistavg/ |
H A D | README.rst | 147 …x="1 -1 1 1 1 -1 -1 1 1" **twistnum="0"** source="ion0" version="0.10" meshfactor="1.0" precision=… 149 …x="1 -1 1 1 1 -1 -1 1 1" **twistnum="7"** source="ion0" version="0.10" meshfactor="1.0" precision=…
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/dports/science/qmcpack/qmcpack-3.11.0/nexus/lib/ |
H A D | qmcpack_input.py | 4469 meshfactor = 1.0, argument 4492 meshfactor = meshfactor, 4574 partition_contents[p].meshfactor = mf 4669 meshfactor = 1.0, argument 4694 meshfactor = meshfactor, 6271 meshfactor = 1.0, 6432 meshfactor = kw.meshfactor, 6464 meshfactor = kw.meshfactor, 6784 meshfactor = 1.0, argument 6848 meshfactor = meshfactor ,
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H A D | qmcpack.py | 205 meshfactor = 1.0
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/dports/science/qmcpack/qmcpack-3.11.0/docs/ |
H A D | lab_condensed_matter.rst | 43 ├── graphene-final.py - DMC for final meshfactor 365 meshfactor. When you run the calculations, examine the 375 meshfactor = xxx, 378 …calculate the fraction of memory that you were able to save by using a meshfactor other than 1 and…
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H A D | intro_wavefunction.rst | 168 tilematrix="1 1 3 1 2 -1 -2 1 0" twistnum="-1" gpu="yes" meshfactor="0.8" 209 | ``meshfactor`` | Float | :math:`\le 1.0` | | Grid spacing rati… 238 - ``meshfactor``. The ratio of actual grid spacing of B-splines used in 240 A smaller meshfactor saves memory use but reduces accuracy. The 554 In practice, we have seen that using a meshfactor=0.5 is often possible and achieves huge memory sa… 587 tilematrix="1 1 3 1 2 -1 -2 1 0" twistnum="-1" gpu="yes" meshfactor="0.8"
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H A D | hamiltonianobservable.rst | 1685 …scf_output/pwscf.pwscf.h5" tilematrix="1 0 0 0 1 0 0 0 1" twistnum="0" meshfactor="1.0" gpu="no" p… 1695 …scf_output/pwscf.pwscf.h5" tilematrix="1 0 0 0 1 0 0 0 1" twistnum="0" meshfactor="1.0" gpu="no" p…
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H A D | analyzing.rst | 1015 meshfactor). This is best done in the presence of any Jastrow factor
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/dports/science/qmcpack/qmcpack-3.11.0/nexus/examples/qmcpack/rsqmc_quantum_espresso/01_diamond_dft_vmc/ |
H A D | README.rst | 262 …atrix="1 -1 1 1 1 -1 -1 1 1" twistnum="0" source="ion0" version="0.10" meshfactor="1.0" precision=…
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/dports/science/qmcpack/qmcpack-3.11.0/nexus/sphinx_docs/ |
H A D | theory.rst | 145 In QMCPACK, the B-spline mesh is controlled with the ``meshfactor`` 149 available in Nexus through the ``meshfactor`` keyword in the
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