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/dports/science/qmcpack/qmcpack-3.11.0/labs/lab4_condensed_matter/
H A Dgraphene-final.py170 meshfactor = xxx,
204 meshfactor = 1.0,
H A Dgraphene-loop-mesh.py174 meshfactor = factor,
/dports/science/qmcpack/qmcpack-3.11.0/nexus/tests/unit/
H A Dtest_qmcpack_input.py729 meshfactor = 1.0,
1524 meshfactor = sb.meshfactor,
1636 meshfactor = sb.meshfactor,
H A Dtest_xmlreader.py233 meshfactor = '1.0',
/dports/science/qmcpack/qmcpack-3.11.0/nexus/examples/qmcpack/rsqmc_quantum_espresso/02_diamond_dft_vmc_twistavg/
H A DREADME.rst147 …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=…
/dports/science/qmcpack/qmcpack-3.11.0/nexus/lib/
H A Dqmcpack_input.py4469 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 ,
H A Dqmcpack.py205 meshfactor = 1.0
/dports/science/qmcpack/qmcpack-3.11.0/docs/
H A Dlab_condensed_matter.rst43 ├── 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…
H A Dintro_wavefunction.rst168 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"
H A Dhamiltonianobservable.rst1685 …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…
H A Danalyzing.rst1015 meshfactor). This is best done in the presence of any Jastrow factor
/dports/science/qmcpack/qmcpack-3.11.0/nexus/examples/qmcpack/rsqmc_quantum_espresso/01_diamond_dft_vmc/
H A DREADME.rst262 …atrix="1 -1 1 1 1 -1 -1 1 1" twistnum="0" source="ion0" version="0.10" meshfactor="1.0" precision=…
/dports/science/qmcpack/qmcpack-3.11.0/nexus/sphinx_docs/
H A Dtheory.rst145 In QMCPACK, the B-spline mesh is controlled with the ``meshfactor``
149 available in Nexus through the ``meshfactor`` keyword in the