Searched refs:calculate_q (Results 1 – 6 of 6) sorted by relevance
| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/xc/ |
| H A D | exx.py | 196 self.calculate_q(i, kpt1, kpt2)
253 def calculate_q(self, i, kpt1, kpt2): member in EXX
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| H A D | rpa.py | 283 energy = self.calculate_q(chi0, pd,
326 def calculate_q(self, chi0, pd, chi0_swGG, chi0_swxvG, chi0_swvv, member in RPACorrelation
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| H A D | fxc.py | 166 def calculate_q(self, chi0, pd, chi0_swGG, chi0_swxvG, chi0_swvv, m1, m2, member in FXCCorrelation
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| /dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/ |
| H A D | fix_qeq_reaxff_kokkos.h | 233 void calculate_q();
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| H A D | fix_qeq_reaxff_kokkos.cpp | 295 calculate_q(); in pre_force()
983 void FixQEqReaxFFKokkos<DeviceType>::calculate_q() in calculate_q() function in FixQEqReaxFFKokkos
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| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/response/ |
| H A D | g0w0.py | 463 self.calculate_q(ie, i, kpt1, kpt2, pd0, W0, W0_GW)
572 def calculate_q(self, ie, k, kpt1, kpt2, pd0, W0, W0_GW=None): member in G0W0
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