/dports/science/simlib/simlib/src/ |
H A D | ni_fw.cc | 177 double yia; // formula's coefficients in Integrate() local 185 yia = FW_First ? 0 : (((*ip)->GetOldState() - Y1[i]) / PrevStep); in Integrate() 186 d1 = (*ip)->GetOldDiff() - yia; in Integrate() 196 (*ip)->SetState((*ip)->GetOldState() + SIMLIB_StepSize * (yia + c1 * d1)); in Integrate() 197 ERR[i] = yia + c0 * d1; in Integrate()
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/dports/science/tinker/tinker/source/ |
H A D | eangle.f | 37 real*8 xia,yia,zia local 99 yia = y(ia) 112 yab = yia - yib 159 yad = yia - yid 181 yap = yia - yip
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H A D | eopbend.f | 36 real*8 xia,yia,zia local 84 yia = y(ia) 99 yab = yia - yib 108 yad = yia - yid
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H A D | estrbnd.f | 38 real*8 xia,yia,zia local 83 yia = y(ia) 95 yab = yia - yib
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H A D | eopdist.f | 31 real*8 xia,yia,zia 74 yia = y(ia) 89 yad = yia - yid
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H A D | eopbend3.f | 41 real*8 xia,yia,zia 106 yia = y(ia) 121 yab = yia - yib 130 yad = yia - yid
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H A D | eangle3.f | 43 real*8 xia,yia,zia local 123 yia = y(ia) 136 yab = yia - yib 212 yad = yia - yid 234 yap = yia - yip
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H A D | estrbnd3.f | 44 real*8 xia,yia,zia local 106 yia = y(ia) 118 yab = yia - yib
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H A D | eangang.f | 34 real*8 xia,yia,zia local 86 yia = y(ia) 104 yab = yia - yib
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H A D | eimprop.f | 37 real*8 xia,yia,zia 82 yia = y(ia) 94 yba = yib - yia
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H A D | eopdist3.f | 37 real*8 xia,yia,zia local 97 yia = y(ia) 112 yad = yia - yid
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H A D | eangang3.f | 41 real*8 xia,yia,zia local 111 yia = y(ia) 129 yab = yia - yib
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H A D | eimprop3.f | 43 real*8 xia,yia,zia local 105 yia = y(ia) 117 yba = yib - yia
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H A D | eimptor.f | 41 real*8 xia,yia,zia local 86 yia = y(ia) 98 yba = yib - yia
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H A D | etors.f | 69 real*8 xia,yia,zia local 114 yia = y(ia) 126 yba = yib - yia 256 real*8 xia,yia,zia local 333 yia = y(ia) 345 yba = yib - yia
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H A D | alterchg.f | 175 real*8 xia,yia,zia local 204 yia = y(ia) 213 yab = yia - yib
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H A D | emm3hb.f | 104 real*8 xia,yia,zia local 224 yia = y(ia) 233 yab = yia - yib 371 yia = y(ia) 380 yab = yia - yib 516 real*8 xia,yia,zia local 695 yia = y(ia) 704 yab = yia - yib 849 real*8 xia,yia,zia local 980 yia = y(ia) [all …]
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H A D | eimprop1.f | 42 real*8 xia,yia,zia local 102 yia = y(ia) 114 yba = yib - yia 176 yca = yic - yia
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H A D | etors3.f | 78 real*8 xia,yia,zia local 140 yia = y(ia) 152 yba = yib - yia 312 real*8 xia,yia,zia local 405 yia = y(ia) 417 yba = yib - yia
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H A D | eimptor3.f | 48 real*8 xia,yia,zia local 110 yia = y(ia) 122 yba = yib - yia
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H A D | epitors.f | 36 real*8 xia,yia,zia local 87 yia = y(ia) 105 yad = yia - yid
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H A D | eimptor1.f | 44 real*8 xia,yia,zia local 105 yia = y(ia) 117 yba = yib - yia 186 yca = yic - yia
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H A D | estrtor.f | 45 real*8 xia,yia,zia local 91 yia = y(ia) 103 yba = yib - yia
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H A D | eangtor.f | 48 real*8 xia,yia,zia local 94 yia = y(ia) 106 yba = yib - yia
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/dports/science/tinker/tinker/other/ |
H A D | eopbend.alt | 36 real*8 xia,yia,zia 75 yia = y(ia) 90 yab = yia - yib 99 yad = yia - yid 184 real*8 xia,yia,zia 239 yia = y(ia) 526 real*8 xia,yia,zia 560 yia = y(ia) 590 yab = yia - yib 599 yad = yia - yid [all …]
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