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Searched refs:Qmcpack (Results 1 – 4 of 4) sorted by relevance

/dports/science/qmcpack/qmcpack-3.11.0/nexus/tests/unit/
H A Dtest_qmcpack_simulation.py33 from qmcpack import Qmcpack,generate_qmcpack
53 assert(isinstance(sim,Qmcpack))
61 from qmcpack import Qmcpack,generate_qmcpack
68 from qmcpack import Qmcpack,generate_qmcpack
75 assert(isinstance(sim,Qmcpack))
83 assert(isinstance(sim,Qmcpack))
/dports/science/qmcpack/qmcpack-3.11.0/nexus/lib/
H A Dqmcpack.py52 class Qmcpack(Simulation): class
273 if isinstance(sim,Qmcpack):
350 if isinstance(sim,Qmcpack):
536 sim_args,inp_args = Qmcpack.separate_inputs(kwargs)
541 qmcpack = Qmcpack(**sim_args)
560 …Qmcpack.class_error('wavefunction does not have determinantset, cannot create cusp correction','ge…
565 qmcpack = Qmcpack(**sim_args)
H A Dnexus.py46 from qmcpack import Qmcpack, QmcpackInput, QmcpackAnalyzer, generate_qmcpack_input, generate_qmcpack
/dports/science/qmcpack/qmcpack-3.11.0/nexus/sphinx_docs/
H A Dtheory.rst295 ``generate_qmcpack``, or ``Qmcpack`` functions).