| /dports/science/tinker/tinker/other/ |
| H A D | buildframe.f | 75 real*8 fuind(3,maxatm) local
446 call pme_grid_induce (fuind,fuinp)
503 e = e + fuind(k,i)*fphi(k+1,i)
504 f1 = f1 + (fuind(k,i)+fuinp(k,i))*fphi(j1,i)
505 & + fuind(k,i)*fdip_phi2(j1,i)
507 f2 = f2 + (fuind(k,i)+fuinp(k,i))*fphi(j2,i)
508 & + fuind(k,i)*fdip_phi2(j2,i)
511 & + fuind(k,i)*fdip_phi2(j3,i)
514 f1 = f1 - fuind(k,i)*fdip_phi2(j1,i)
516 f2 = f2 - fuind(k,i)*fdip_phi2(j2,i)
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| H A D | pmepol.f | 256 subroutine grid_uind (fuind,fuinp)
269 real*8 fuind(3,maxatm)
302 term01 = fuind(2,m)*u1*v0 + fuind(3,m)*u0*v1
303 term11 = fuind(1,m)*u0*v0
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| H A D | empole.taper | 1836 real*8 fuind(3,maxatm)
1978 call pmesh_dipole_cart_to_frac (uind,fuind)
1986 fuind(1,i) = a(1,1)*uind(1,i) + a(1,2)*uind(2,i)
1988 fuind(2,i) = a(2,1)*uind(1,i) + a(2,2)*uind(2,i)
1990 fuind(3,i) = a(3,1)*uind(1,i) + a(3,2)*uind(2,i)
2002 e = e + fuind(k,i)*fphi(foff+k+1)
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| H A D | empole.both | 2018 real*8, allocatable :: fuind(:,:)
2030 allocate (fuind(3,npole))
2153 fuind(k,i) = a(k,1)*uind(1,i) + a(k,2)*uind(2,i)
2163 e = e + fuind(k,i)*fphi(k+1,i)
2172 deallocate (fuind)
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| H A D | empole1.taper | 4665 real*8 fuind(3,maxatm)
4917 call pmesh_dipole_cart_to_frac (uind,fuind)
4919 call pmesh_grid_induced (fuind,fuinp,bsoffset,drorder)
5025 e = e + fuind(k,i)*fphi(foff+k+1)
5026 f1 = f1 + 0.5d0 * ((fuind(k,i)+fuinp(k,i))
5028 & + fuind(k,i)*fdip_phi2(j1,i)
5030 f2 = f2 + 0.5d0 * ((fuind(k,i)+fuinp(k,i))
5032 & + fuind(k,i)*fdip_phi2(j2,i)
5034 f3 = f3 + 0.5d0 * ((fuind(k,i)+fuinp(k,i))
5036 & + fuind(k,i)*fdip_phi2(j3,i)
[all …]
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| H A D | empole1.both | 6207 real*8, allocatable :: fuind(:,:)
6233 allocate (fuind(3,npole))
6612 call grid_uind (fuind,fuinp)
6660 e = e + fuind(k,i)*fphi(k+1,i)
6662 & + fuind(k,i)*fphip(j1,i)
6665 & + fuind(k,i)*fphip(j2,i)
6668 & + fuind(k,i)*fphip(j3,i)
6671 f1 = f1 - fuind(k,i)*fphip(j1,i)
6673 f2 = f2 - fuind(k,i)*fphip(j2,i)
6675 f3 = f3 - fuind(k,i)*fphip(j3,i)
[all …]
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| H A D | induce.no-tarray | 2590 real*8, allocatable :: fuind(:,:)
2605 allocate (fuind(3,npole))
2622 fuind(k,i) = a(k,1)*uind(1,i) + a(k,2)*uind(2,i)
2631 call grid_uind (fuind,fuinp)
2680 deallocate (fuind)
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| /dports/science/tinker/tinker/source/ |
| H A D | pmestuf.f | 861 subroutine grid_uind (fuind,fuinp)
880 real*8 fuind(3,*)
950 term01 = fuind(2,isite)*u1*v0
951 & + fuind(3,isite)*u0*v1
952 term11 = fuind(1,isite)*u0*v0
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| H A D | epolar.f | 1880 real*8, allocatable :: fuind(:,:) local
2012 allocate (fuind(3,npole))
2024 fuind(j,i) = a(j,1)*uind(1,i) + a(j,2)*uind(2,i)
2034 call grid_uind (fuind,fuinp)
2047 e = e + fuind(k,i)*fphi(k+1,i)
2055 deallocate (fuind)
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| H A D | epolar1.f | 8610 real*8, allocatable :: fuind(:,:) local
8798 allocate (fuind(3,npole))
8823 call grid_uind (fuind,fuinp)
8863 f1 = f1 + (fuind(k,i)+fuinp(k,i))*fphi(j1,i)
9010 fuind(j,i) = a(j,1)*uopt(m,1,i)
9024 f1 = f1 + fuind(j,i)*fphip(j1,i)
9026 f2 = f2 + fuind(j,i)*fphip(j2,i)
9028 f3 = f3 + fuind(j,i)*fphip(j3,i)
9089 call grid_uind (fuind,fuinp)
9165 call grid_uind (fuind,fuinp)
[all …]
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| H A D | induce.f | 3831 real*8, allocatable :: fuind(:,:) local
3846 allocate (fuind(3,npole))
3863 fuind(j,ii) = a(j,1)*uind(1,ii) + a(j,2)*uind(2,ii)
3872 call grid_uind (fuind,fuinp)
3932 deallocate (fuind)
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| /dports/devel/cld2/cld-20150505/internal/ |
| H A D | test_shuffle_1000_48_666.utf8 | 112193 …on no anthwer da convewsations ~ mawk at weast one tecthbox start addwess fuind ~ fwiend weft give…
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