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/dports/science/qmcpack/qmcpack-3.11.0/docs/
H A Dlab_advanced_molecules.rst451 Generation of a CISD wavefunctions using GAMESS
484 Optimization of a multideterminant wavefunction
525 CISD, CASCI, and SOCI
H A Dintro_wavefunction.rst1757 .. _backflow:
/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/
H A Dwavefunctions.f9010 MODULE wavefunctions module
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/
H A Dberryphase.py334 def wavefunctions(bz_index): function
H A Dwannier90.py341 def wavefunctions(bz_index): function
H A Dspinorbit.py126 def wavefunctions(self, calc, periodic=True): member in WaveFunction
/dports/science/qmcpack/qmcpack-3.11.0/src/AFQMC/Wavefunctions/
H A DWavefunctionFactory.h198 std::map<std::string, Wavefunction> wavefunctions; variable
/dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/converter/
H A Dabinit2qmc.cpp239 vector <WF_kpoint> wavefunctions; member in Abinit_converter
603 int extend_occupation(vector <vector < double> > & supercell, in extend_occupation()