Searched refs:ref_xcmat (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | atom_admm_methods.F | 76 admm_xcmatb, admmq_k, ovlap, ref_k, ref_xcmat, ref_xcmata, ref_xcmatb, sinv, siref, tmat local
306 ALLOCATE (ref_xcmat(1:nb, 1:nb, 0:lmat))
309 … CALL atom_vxc_lda(ref_basis, ref_orbs%pmat, maxl, xc_pbex, fexc_pbex_ref, ref_xcmat)
314 … CALL atom_vxc_lda(ref_basis, ref_orbs%pmat, maxl, xc_optx, fexc_optx_ref, ref_xcmat)
325 DEALLOCATE (ref_xcmat, admm_xcmat)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | atom_admm_methods.F | 76 admm_xcmatb, admmq_k, ovlap, ref_k, ref_xcmat, ref_xcmata, ref_xcmatb, sinv, siref, tmat local
306 ALLOCATE (ref_xcmat(1:nb, 1:nb, 0:lmat))
309 … CALL atom_vxc_lda(ref_basis, ref_orbs%pmat, maxl, xc_pbex, fexc_pbex_ref, ref_xcmat)
314 … CALL atom_vxc_lda(ref_basis, ref_orbs%pmat, maxl, xc_optx, fexc_optx_ref, ref_xcmat)
325 DEALLOCATE (ref_xcmat, admm_xcmat)
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