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Searched defs:e_corr (Results 1 – 5 of 5) sorted by relevance

/dports/science/py-pyscf/pyscf-2.0.1/examples/mrpt/
H A D41-for_state_average.py45 e_corr = mrpt.NEVPT(mc,root=1).kernel() variable
/dports/science/py-pyscf/pyscf-2.0.1/examples/cc/
H A D15-incore_mo_ccsd_t.py56 e_corr = ccsd.e_corr variable
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/agf2/
H A Dragf2.py944 def e_corr(self): member in RAGF2
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/
H A Dhelium_types.F161 REAL(KIND=dp) :: e_corr !< potential correction energy due to finite box component
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/
H A Dhelium_types.F161 REAL(KIND=dp) :: e_corr !< potential correction energy due to finite box component