Searched refs:dmpe (Results 1 – 9 of 9) sorted by relevance
| /dports/science/tinker/tinker/source/ |
| H A D | empole.f | 972 real*8 dmpik(9),dmpe(9) local
1134 rr1 = dmpe(1) - scalek*rr1
1135 rr3 = dmpe(3) - scalek*rr3
1136 rr5 = dmpe(5) - scalek*rr5
1137 rr7 = dmpe(7) - scalek*rr7
1138 rr9 = dmpe(9) - scalek*rr9
1527 real*8 dmpik(9),dmpe(9) local
1698 rr1 = dmpe(1) - scalek*rr1
1699 rr3 = dmpe(3) - scalek*rr3
1700 rr5 = dmpe(5) - scalek*rr5
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| H A D | empole3.f | 1121 real*8 dmpik(9),dmpe(9) local
1329 rr1 = dmpe(1) - scalek*rr1
1330 rr3 = dmpe(3) - scalek*rr3
1331 rr5 = dmpe(5) - scalek*rr5
1332 rr7 = dmpe(7) - scalek*rr7
1333 rr9 = dmpe(9) - scalek*rr9
1819 real*8 dmpik(9),dmpe(9) local
2038 rr1 = dmpe(1) - scalek*rr1
2039 rr3 = dmpe(3) - scalek*rr3
2040 rr5 = dmpe(5) - scalek*rr5
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| H A D | epolar.f | 928 real*8 dmpik(7),dmpe(7) local
1052 call dampewald (7,r,r2,f,dmpe)
1065 sr3 = dmpe(3) - rr3 + sr3
1066 sr5 = dmpe(5) - rr5 + sr5
1067 sr7 = dmpe(7) - rr7 + sr7
1093 rr3i = dmpe(3) - rr3 + rr3i
1094 rr5i = dmpe(5) - rr5 + rr5i
1495 real*8 dmpik(7),dmpe(7) local
1643 sr3 = dmpe(3) - rr3 + sr3
1644 sr5 = dmpe(5) - rr5 + sr5
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| H A D | epolar3.f | 1073 real*8 dmpik(7),dmpe(7) local
1209 call dampewald (7,r,r2,f,dmpe)
1226 sr3 = dmpe(3) - rr3 + sr3
1227 sr5 = dmpe(5) - rr5 + sr5
1228 sr7 = dmpe(7) - rr7 + sr7
1257 rr3i = dmpe(3) - rr3 + rr3i
1258 rr5i = dmpe(5) - rr5 + rr5i
1744 real*8 dmpik(7),dmpe(7) local
1909 sr3 = dmpe(3) - rr3 + sr3
1910 sr5 = dmpe(5) - rr5 + sr5
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| H A D | empole1.f | 1945 real*8 dmpik(11),dmpe(11) local
2196 rr1 = dmpe(1) - scalek*rr1
2197 rr3 = dmpe(3) - scalek*rr3
2198 rr5 = dmpe(5) - scalek*rr5
2199 rr7 = dmpe(7) - scalek*rr7
2200 rr9 = dmpe(9) - scalek*rr9
2554 rr1 = dmpe(1) - scalek*rr1
2555 rr3 = dmpe(3) - scalek*rr3
2556 rr5 = dmpe(5) - scalek*rr5
2557 rr7 = dmpe(7) - scalek*rr7
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| H A D | epolar1.f | 4696 term6 = (dmpe(9)-dsc7*rr9)*xr*xr - dmpe(7)
4709 term6 = (dmpe(9)-dsc7*rr9)*yr*yr - dmpe(7)
4722 term6 = (dmpe(9)-dsc7*rr9)*zr*zr - dmpe(7)
4780 term6 = (dmpe(9)-psc7*rr9)*xr*xr - dmpe(7)
4793 term6 = (dmpe(9)-psc7*rr9)*yr*yr - dmpe(7)
4806 term6 = (dmpe(9)-psc7*rr9)*zr*zr - dmpe(7)
5872 term6 = (dmpe(9)-dsc7*rr9)*xr*xr - dmpe(7)
5885 term6 = (dmpe(9)-dsc7*rr9)*yr*yr - dmpe(7)
5898 term6 = (dmpe(9)-dsc7*rr9)*zr*zr - dmpe(7)
5956 term6 = (dmpe(9)-psc7*rr9)*xr*xr - dmpe(7)
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| H A D | induce.f | 2482 real*8 dmpik(7),dmpe(7) local
2648 call dampewald (7,r,r2,1.0d0,dmpe)
2701 rr3 = dmpe(3) - (1.0d0-scalek)*rr3
2728 rr3 = dmpe(3) - (1.0d0-scalek)*rr3
3206 real*8 dmpik(7),dmpe(7) local
3441 call dampewald (7,r,r2,1.0d0,dmpe)
3512 rr3 = dmpe(3) - (1.0d0-scalek)*rr3
3539 rr3 = dmpe(3) - (1.0d0-scalek)*rr3
3986 real*8 dmpik(5),dmpe(5) local
4086 call dampewald (5,r,r2,1.0d0,dmpe)
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| H A D | damping.f | 19 subroutine dampewald (rorder,r,r2,scale,dmpe) argument
30 real*8 dmpe(*) local
37 dmpe(i) = scale
44 dmpe(1) = scale * bn(0)
54 dmpe(2*i+1) = scale * bn(i)
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| /dports/www/py-notebook/notebook-6.4.5/ |
| H A D | CHANGELOG.md | 346 - dmpe
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