Searched refs:fexc_pbex_admmq (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | atom_admm_methods.F | 72 fexc_optx_admmq, fexc_optx_ref, fexc_pbex_admm1, fexc_pbex_admm2, fexc_pbex_admmq, & local
312 … CALL atom_vxc_lda(admm_basis, admmq_orbs%pmat, maxl, xc_pbex, fexc_pbex_admmq, admm_xcmat)
339 fexc_pbex_admmq, admm_xcmata, admm_xcmatb)
387 dxc = fexc_pbex_ref - fexc_pbex_admmq
400 dxc = fexc_pbex_ref - fexc_pbex_admmq*xsi**(2._dp/3._dp)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | atom_admm_methods.F | 72 fexc_optx_admmq, fexc_optx_ref, fexc_pbex_admm1, fexc_pbex_admm2, fexc_pbex_admmq, & local
312 … CALL atom_vxc_lda(admm_basis, admmq_orbs%pmat, maxl, xc_pbex, fexc_pbex_admmq, admm_xcmat)
339 fexc_pbex_admmq, admm_xcmata, admm_xcmatb)
387 dxc = fexc_pbex_ref - fexc_pbex_admmq
400 dxc = fexc_pbex_ref - fexc_pbex_admmq*xsi**(2._dp/3._dp)
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