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Searched refs:fRRR (Results 1 – 7 of 7) sorted by relevance

/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/
H A Dgeneral.h93 real fRRR[2]; /* d/drho^2 F */ member
111 real fRRR; /* d/drho^3 F */ member
H A Dgeneral.c283 ds->fRRR[0] = (drvs.df3000 + 3*drvs.df2100); in dftpot2_()
284 ds->fRRR[1] = (drvs.df3000 - drvs.df2100); in dftpot2_()
349 ds->fRRR = 0.125*(drvs.df3000 + 3.0*drvs.df2100 + in dftpot3ab_()
H A Dquad-strict.c281 pref = d->yy*d->zz*drvs.fRRR[sY|sZ] + in add_dft_contribution()
463 drvs->fRRR = 1; in main()
H A Dcube-fast.c1008 pref = RRR*d->roB*d->roC*drvs.fRRR; in add_dft_contribution()
1017 pref = RRR*d->roC*d->roD*drvs.fRRR; in add_dft_contribution()
1026 pref = RRR*d->roB*d->roD*drvs.fRRR; in add_dft_contribution()
1042 pref += RRR*(d->roB*d->roCD + d->roC*d->roBD + d->roD*d->roBC)*drvs.fRRR; in add_dft_contribution()
H A Dquad-faster.c275 d->yy[j]*d->zz[j]*drvs.fRRR[sY|sZ] + in qrbl_add_lda_contribution()
422 pref3[k][0] = trY[k][0]*trZ[k][0]*drvs.fRRR[sY|sZ]+ in qrbl_add_gga_contribution()
H A Dquad-fast.c469 pref3 = d->yy*d->zz*drvs.fRRR[sY|sZ] + in add_dft_contribution()
/dports/science/ergo/ergo-3.8/source/dft/
H A Ddft_common.cc828 ds->fRRR[0] = (drvs.df3000 + 3*drvs.df2100); in dftpot2_()
829 ds->fRRR[1] = (drvs.df3000 - drvs.df2100); in dftpot2_()
893 ds->fRRR = 0.125*(drvs.df3000 + 3.0*drvs.df2100 + in dftpot3ab_()