/dports/science/tinker/tinker/source/ |
H A D | xyzatm.f | 30 real*8 xab,yab,zab,rab local 68 zab = z(ia) - z(ib) 72 zab = zab / rab 73 cosb = zab 93 zab = z(ia) - z(ib) 97 zab = zab / rab 105 xt = zab*ybc - yab*zbc 106 yt = xab*zbc - zab*xbc 113 xu = yt*zab - zt*yab 114 yu = zt*xab - xt*zab [all …]
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H A D | dcflux.f | 38 real*8 xab,yab,zab local 90 zab = za - zb 92 rab2 = max(xab*xab+yab*yab+zab*zab,eps) 97 fz = pb * zab 127 zab = za - zb 132 call image (xab,yab,zab) 135 rab2 = max(xab*xab+yab*yab+zab*zab,eps) 148 fza1 = pb2 * zab/rab 161 dot = xab*xcb + yab*ycb + zab*zcb 168 termza = zcb/rabc - zab*dra3 [all …]
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H A D | ebond1.f | 35 real*8 xab,yab,zab,rab local 77 zab = z(ia) - z(ib) 78 if (use_polymer) call image (xab,yab,zab) 79 rab = sqrt(xab*xab + yab*yab + zab*zab) 118 dedz = de * zab 134 vzx = zab * dedx 136 vzy = zab * dedy 137 vzz = zab * dedz
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H A D | ebond2.f | 31 real*8 xab,yab,zab local 64 zab = z(ia) - z(ib) 65 if (use_polymer) call image (xab,yab,zab) 66 rab2 = xab*xab + yab*yab + zab*zab 109 termz = term * zab 112 d2e(1,3) = termx*zab 115 d2e(2,3) = termy*zab 118 d2e(3,3) = termz*zab + de
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H A D | estrbnd1.f | 44 real*8 xab,yab,zab local 117 zab = zia - zib 122 call image (xab,yab,zab) 125 rab2 = max(xab*xab+yab*yab+zab*zab,eps) 129 xp = ycb*zab - zcb*yab 130 yp = zcb*xab - xcb*zab 133 dot = xab*xcb + yab*ycb + zab*zcb 160 ddrdzia = term1 * zab 211 vzx = zab*dedxia + zcb*dedxic 213 vzy = zab*dedyia + zcb*dedyic [all …]
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H A D | alterchg.f | 119 real*8 xab,yab,zab local 136 zab = z(ia) - z(ib) 137 if (use_polymer) call image (xab,yab,zab) 138 rab = sqrt(xab*xab + yab*yab + zab*zab) 178 real*8 xab,yab,zab local 214 zab = zia - zib 219 call image (xab,yab,zab) 222 rab = sqrt(max(xab*xab+yab*yab+zab*zab,eps)) 224 dot = xab*xcb + yab*ycb + zab*zcb
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H A D | eopbend1.f | 44 real*8 xab,yab,zab local 120 zab = zia - zib 134 call image (xab,yab,zab) 145 rab2 = xab*xab + yab*yab + zab*zab 147 dot = xab*xcb+yab*ycb+zab*zcb 162 ee = xdb*(yab*zcb-zab*ycb) + ydb*(zab*xcb-xab*zcb) 191 dccdzia = (zab*rcb2-zcb*dot) * term 194 dccdzic = (zcb*rab2-zab*dot) * term 214 deedxic = yab*zdb - zab*ydb 215 deedyic = zab*xdb - xab*zdb [all …]
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H A D | geometry.f | 24 real*8 xab,yab,zab local 45 zab = z(ia) - z(ib) 46 geometry = sqrt(xab*xab + yab*yab + zab*zab) 53 zab = z(ia) - z(ib) 57 rab2 = max(xab*xab+yab*yab+zab*zab,0.0001d0) 60 cosine = (xab*xcb + yab*ycb + zab*zcb) / rabc
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H A D | estrbnd2.f | 40 real*8 xab,yab,zab local 116 zab = zia - zib 124 rab2 = max(xab*xab+yab*yab+zab*zab,eps) 128 xp = ycb*zab - zcb*yab 129 yp = zcb*xab - xcb*zab 156 zrab = 2.0d0 * zab / rab2 182 dtxiaxic = term1*(yab*yab+zab*zab) - ddtdxia*xabp 186 dtyiayic = term1*(xab*xab+zab*zab) - ddtdyia*yabp 245 ddrdzia = term1 * zab 257 zab = zab / rab [all …]
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H A D | eopbend.f | 40 real*8 xab,yab,zab local 100 zab = zia - zib 114 call image (xab,yab,zab) 125 rab2 = xab*xab + yab*yab + zab*zab 127 cc = rab2*rcb2 - (xab*xcb+yab*ycb+zab*zcb)**2 140 ee = xdb*(yab*zcb-zab*ycb) + ydb*(zab*xcb-xab*zcb)
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H A D | eangang1.f | 44 real*8 xab,yab,zab local 126 zab = zia - zib 137 call image (xab,yab,zab) 142 rab2 = max(xab*xab+yab*yab+zab*zab,eps) 146 xp = ycb*zab - zcb*yab 147 yp = zcb*xab - xcb*zab 154 dot = xab*xcb + yab*ycb + zab*zcb 183 dedxia = terma * (yab*zp-zab*yp) 184 dedyia = terma * (zab*xp-xab*zp) 230 vzx = zab*dedxia + zcb*dedxic + zdb*dedxid + zeb*dedxie [all …]
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H A D | ebond.f | 31 real*8 xab,yab,zab,rab local 66 zab = z(ia) - z(ib) 67 if (use_polymer) call image (xab,yab,zab) 68 rab = sqrt(xab*xab + yab*yab + zab*zab)
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H A D | estrbnd.f | 41 real*8 xab,yab,zab local 96 zab = zia - zib 101 call image (xab,yab,zab) 104 rab = sqrt(max(xab*xab+yab*yab+zab*zab,eps)) 106 dot = xab*xcb + yab*ycb + zab*zcb
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H A D | emm3hb1.f | 120 real*8 xab,yab,zab local 262 zab = zia - zib 271 rab2 = max(xab*xab+yab*yab+zab*zab,0.0001d0) 531 zab = zia - zib 540 rab2 = max(xab*xab+yab*yab+zab*zab,0.0001d0) 796 real*8 xab,yab,zab local 999 zab = zia - zib 1023 rab2 = max(xab*xab+yab*yab+zab*zab,0.0001d0) 1272 real*8 xab,yab,zab local 1425 zab = zia - zib [all …]
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H A D | eopbend3.f | 45 real*8 xab,yab,zab 122 zab = zia - zib 136 call image (xab,yab,zab) 147 rab2 = xab*xab + yab*yab + zab*zab 149 cc = rab2*rcb2 - (xab*xcb+yab*ycb+zab*zcb)**2 162 ee = xdb*(yab*zcb-zab*ycb) + ydb*(zab*xcb-xab*zcb)
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H A D | ebond3.f | 37 real*8 xab,yab,zab,rab local 89 zab = z(ia) - z(ib) 90 if (use_polymer) call image (xab,yab,zab) 91 rab = sqrt(xab*xab + yab*yab + zab*zab)
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H A D | estrbnd3.f | 47 real*8 xab,yab,zab local 119 zab = zia - zib 124 call image (xab,yab,zab) 127 rab = sqrt(max(xab*xab+yab*yab+zab*zab,eps)) 129 dot = xab*xcb + yab*ycb + zab*zcb
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H A D | eangang.f | 39 real*8 xab,yab,zab local 105 zab = zia - zib 116 call image (xab,yab,zab) 121 rab2 = max(xab*xab+yab*yab+zab*zab,eps) 125 dot = xab*xcb + yab*ycb + zab*zcb
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H A D | eopbend2.f | 189 real*8 xab,yab,zab local 252 zab = zia - zib 266 call image (xab,yab,zab) 277 rab2 = xab*xab + yab*yab + zab*zab 279 dot = xab*xcb+yab*ycb+zab*zcb 294 ee = xdb*(yab*zcb-zab*ycb) + ydb*(zab*xcb-xab*zcb) 314 dccdzia = (zab*rcb2-zcb*dot) * term 317 dccdzic = (zcb*rab2-zab*dot) * term 337 deedxic = yab*zdb - zab*ydb 338 deedyic = zab*xdb - xab*zdb [all …]
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H A D | eangle2.f | 193 real*8 xab,yab,zab local 263 zab = zia - zib 268 call image (xab,yab,zab) 271 rab2 = max(xab*xab+yab*yab+zab*zab,eps) 273 xp = ycb*zab - zcb*yab 274 yp = zcb*xab - xcb*zab 360 zrab = 2.0d0 * zab / rab2 386 dxiaxic = terma*(yab*yab+zab*zab) - ddtdxia*xabp 390 dyiayic = terma*(xab*xab+zab*zab) - ddtdyia*yabp 599 xp = ypo*zab - zpo*yab [all …]
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H A D | eangang3.f | 46 real*8 xab,yab,zab local 130 zab = zia - zib 141 call image (xab,yab,zab) 146 rab2 = max(xab*xab+yab*yab+zab*zab,eps) 150 dot = xab*xcb + yab*ycb + zab*zcb
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/dports/devel/xa65/xa-2.3.12/tests/adrm/ |
H A D | Makefile | 4 ../../xa zab.asm || exit 0 && exit 1 14 ../../xa -w zab.asm -o zab.o 15 ../hextool -cmp=zab.ok < zab.o
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/dports/science/xcfun/xcfun-2.1.1-1-gf87ca0e/src/functionals/ |
H A D | brx.cpp | 107 num zab = abs(cab * (1.0 / UXa + 1.0 / UXb)); in brc() local 108 num ECopp = -0.8 * d.a * d.b * zab * zab * (1 - log(1 + zab) / zab); in brc() 122 num zab = abs(cab * (1.0 / UXa + 1.0 / UXb)); in brxc() local 123 num ECopp = -0.8 * d.a * d.b * zab * zab * (1 - log(1 + zab) / zab); in brxc()
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/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-MOLECULE/ |
H A D | improper_distance.cpp | 56 double xab, yab, zab; // bond 1-2 in compute() local 95 zab = x[i2][2] - x[i1][2]; in compute() 96 domain->minimum_image(xab,yab,zab); in compute() 130 da = xna*xab + yna*yab + zna*zab; in compute() 142 …f2[0] = a*( -xna -yab*(zbd-zbc)*rna +zab*(ybd-ybc)*rna -da*( -yna*(zbd-zbc) + zna*(y… in compute() 143 …f2[1] = a*( +xab*(zbd-zbc)*rna -yna +zab*(xbc-xbd)*rna -da*( +xna*(zbd-zbc) + zna*(x… in compute() 146 f3[0] = a*( ( yab*zbd -zab*ybd ) *rna +da*( -yna*zbd +zna*ybd )*rna); in compute() 147 f3[1] = a*( ( -xab*zbd +zab*xbd ) *rna +da*( +xna*zbd -zna*xbd )*rna); in compute() 150 f4[0] = a*( ( -yab*zbc +zab*ybc ) *rna -da*( -yna*zbc +zna*ybc )*rna); in compute() 151 f4[1] = a*( ( +xab*zbc -zab*xbc ) *rna -da*( +xna*zbc -zna*xbc )*rna); in compute() [all …]
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/dports/deskutils/cairo-dock-plugins/cairo-dock-plug-ins-3.4.1/Animated-icons/src/ |
H A D | applet-mesh-factory.c | 62 double xab, yab, zab, xac, yac, zac, nx, ny, nz, n; in cairo_dock_load_capsule_calllist() local 71 zab = a * sin(deg2*RADIAN) - a * sin((deg2+amp)*RADIAN); in cairo_dock_load_capsule_calllist() 77 nx = yab*zac - zab*yac; in cairo_dock_load_capsule_calllist() 78 ny = zab*xac - xab*zac; in cairo_dock_load_capsule_calllist() 160 zab = 0.; in cairo_dock_load_capsule_calllist() 165 nx = yab*zac - zab*yac; in cairo_dock_load_capsule_calllist() 166 ny = zab*xac - xab*zac; in cairo_dock_load_capsule_calllist() 209 double xab, yab, zab, xac, yac, zac, nx, ny, nz, n; in cairo_dock_load_ring_calllist() local 221 zab = 0.; in cairo_dock_load_ring_calllist() 226 nx = yab*zac - zab*yac; in cairo_dock_load_ring_calllist() [all …]
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