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Searched defs:gen_BLYP_BW_restricted (Results 1 – 4 of 4) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/exchange-correlation/
H A Dblyp-eric.f42 real*8 n,fnx,fnx_lda,fdnx
45 real*8 n_ponethird, n_pfourthirds,n_ptwothirds,n_pfivethirds
47 real*8 chi, chidn,chiddn
50 real*8 H,F,Fdchi
56 real*8 fnc, fnc_1, fnc_2, fnc_3, fnc_4
57 real*8 fdnc, fdnc_1, fdnc_2
58 real*8 ce,ce_1,ce_2,ce_3
59 real*8 a, b, c, d, Cf
72 real*8 F1, dF1dn, d2F1dn2,d2F1dn2_1, d2F1dn2_2, F12, F14
73 real*8 G1, dG1dn,dG1dn_1, dG1dn_2, d2G1dn2,d2G1dn2_1, d2G1dn2_2,
[all …]
H A Dblyp.f524 real*8 Fc,Gc,C1,C2
525 real*8 n, n_thrd,n_fv,n_fr,n_tw
526 real*8 n_m,n_mthrd,n_mfrthrd,n_mfvthrd
527 real*8 agr,agr2, chi, chi2,chiSQ,sd
530 real*8 xe,fdnx,fdagrx
531 real*8 xe_pbe,fdnx_pbe,fdagrx_pbe
532 real*8 ce,fdnc, fdagrc,fdnc_lda
534 real*8 fc_lda,Ho,Ho_n,Gc_n,Gc_nn,Fc_n,Fc_nn
538 real*8 pi,thrd,two_thrd
557 real*8 a,b,c,d,Cf
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/exchange-correlation/
H A Dblyp-eric.f21 subroutine gen_BLYP_BW_restricted(n2ft3d,rho_in,agr_in, subroutine
H A Dblyp.f498 subroutine gen_BLYP_BW_restricted(n2ft3d,rho_in,agr_in, subroutine