Searched refs:rbh2 (Results 1 – 2 of 2) sorted by relevance
| /dports/science/xtb/xtb-6.4.1/src/ |
| H A D | qmdff.f90 | 772 real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 local
796 rbh2=sum(drbh**2)
797 rbh =sqrt(rbh2)
805 if(rah2.gt.rbh2)then
821 rbh4 = rbh2*rbh2
837 gi = 4.d0*(cb-ca)*rbh2*rah4*denom*denom
850 if(rah2.gt.rbh2)then
852 dg2(1:3) = aprod*drab(1:3) + cosabh*drbh(1:3)/rbh2
939 real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 local
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| /dports/science/xtb/xtb-6.4.1/src/gfnff/ |
| H A D | gfnff_eg.f90 | 1407 rbh2= sqrab(ij)
1448 rbh4 = rbh2*rbh2
1473 dd24b=rbh2*rah4*tmp
1600 rbh2= sqrab(ij)
1683 gi = -3.d0*rbhdamp/rbh2
1860 rbh2= sqrab(ij)
1951 gi = -3.d0*rbhdamp/rbh2
2162 rbh2= sqrab(ij)
2297 gi = -3.d0*rbhdamp/rbh2
2481 rbh2= sqrab(ij)
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