| /dports/science/tinker/tinker/source/ |
| H A D | edisp2.f | 58 real*8 damp,ddamp local
183 ddamp = ddampi + ddampk
194 ddamp = (di5-3.0d0*di3-3.0d0*di2)
197 & *ai2*expi/96.0d0 - ai*ddamp
203 d2e = d2e*damp**2 + 4.0d0*de*damp*ddamp
204 & + 2.0d0*e*(ddamp**2+damp*d2damp)
205 de = de*damp**2 + 2.0d0*e*damp*ddamp
370 ddamp = ddampi + ddampk
381 ddamp = (di5-3.0d0*di3-3.0d0*di2)
390 d2e = d2e*damp**2 + 4.0d0*de*damp*ddamp
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| H A D | edisp1.f | 111 real*8 damp,ddamp local
258 de = de*damp**2 + 2.0d0*e*damp*ddamp
588 real*8 damp,ddamp local
939 real*8 damp,ddamp local
1076 ddamp = ddamp * vlambda
1079 ddamp = ddamp * vlambda
1256 ddamp = ddamp * vlambda
1259 ddamp = ddamp * vlambda
1440 real*8 damp,ddamp local
1587 ddamp = ddamp * vlambda
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| /dports/science/xtb/xtb-6.4.1/src/ |
| H A D | aespot.f90 | 770 real(wp) dgab3,dgab5,damp1,damp2,ddamp,qs2 local
786 call dzero(kdmp3,rabi,radcn(i),radcn(j),damp1,ddamp)
787 dgab3 = dgab(3.0_wp,rabi,damp1,ddamp)
790 dgab5 = dgab(5.0_wp,rabi,damp2,ddamp)
912 real(wp) damp,ddamp local
932 call dzero(kdmp3,tmp1,radcn(i),radcn(j),damp,ddamp)
936 call dzero(kdmp5,tmp1,radcn(i),radcn(j),damp,ddamp)
1008 real(wp), intent (out) :: damp,ddamp local
1015 ddamp = -dex*rabinv*(damp*damp-damp)
1039 real(wp) dex,rabinv,damp,ddamp,tmp1 local
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| H A D | qmdff.f90 | 639 real(wp),intent(out) :: damp,ddamp local
646 ddamp=-2.d0*2*rr/(r2*(1.0d0+rr)**2)
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| /dports/science/xtb/xtb-6.4.1/src/gfnff/ |
| H A D | gfnff_eg.f90 | 1184 real*8 r2,damp,ddamp,rr,rcut local
1188 ddamp=-2.d0*2*rr/(r2*(1.0d0+rr)**2)
1195 real*8 r2,damp,ddamp,rr,rcut local
1199 ddamp=-2.d0*2*rr/(r2*(1.0d0+rr)**2)
1206 real*8 r2,damp,ddamp,rr,rcut local
1217 real*8 r2,damp,ddamp,rr,rcut local
1534 real*8 ddamp,rabdamp,rbhdamp local
1768 real*8 ddamp,rabdamp,rbhdamp local
2067 real*8 ddamp,rabdamp,rbhdamp local
2402 real*8 ddamp,rabdamp,rbhdamp local
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| /dports/math/octave-forge-mechanics/mechanics/inst/core/ |
| H A D | nloscillator.m | 119 ddamp = polyder (damp); variable
122 dotxdx(2,:,:) = [ polyval(dcoef, x(1,:)); polyval(ddamp, x(2,:)) ];
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/pseudopotential/ |
| H A D | becke_exchange.c | 36 double lap,damp,ddamp; local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/pseudopotential/ |
| H A D | becke_exchange.c | 36 double lap,damp,ddamp; local
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| /dports/science/tinker/tinker/other/ |
| H A D | t2matrix.f | 518 real*8 damp,ddamp,de,term
1139 ddamp = (3.0d0*pgamma*r2/damp**3) * term
1141 de = 2.0d0 * ei * ddamp
1155 de = 2.0d0 * ek * ddamp
1169 de = utu * ddamp
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| H A D | ptensor.f | 1132 real*8 damp,ddamp,de,term
1730 ddamp = (3.0d0*pgamma*r2/damp**3) * term
1732 de = (ei+ek+utu) * ddamp
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
| H A D | tsvdw.f90 | 183 ddamp=20.0_DP
184 WRITE(stdout,'(5X,"ddamp = ",F9.6)') ddamp
1815 FDR0=ddamp/(2.0_DP*sR)
1946 edamp=EXP(-ddamp*(dABimg/(sR*RAB0)-1.0_DP))
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/pw_vdw/ |
| H A D | benchmark.out.git.inp=vdw-ts.in | 97 ddamp = 20.000000
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| /dports/editors/texstudio/texstudio-4.1.2/utilities/dictionaries/ |
| H A D | fy_FY-WesternFrisian.dic | 130524 krûddamp
|