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/dports/cad/calculix-ccx/CalculiX/ccx_2.18/src/
H A Dgen3dtemp.f21 & ithermal,vold,mi,t0g,t1g,nam,iamt1) argument
35 & vold(0:mi(2),*),t0g(2,*),t1g(2,*) local
146 & -t1g(1,i)*thicke(1,indexe+j)*(0.5d0+offset(1,ielem))
153 & +t1g(1,i)*thicke(1,indexe+j)*(0.5d0-offset(1,ielem))
158 & -t1g(2,i)*thicke(1,indexe+j)*(0.5d0+offset(1,ielem))
159 & +t1g(1,i)*thicke(2,indexe+j)*(0.5d0+offset(2,ielem))
163 & -t1g(2,i)*thicke(1,indexe+j)*(0.5d0+offset(1,ielem))
164 & -t1g(1,i)*thicke(2,indexe+j)*(0.5d0+offset(2,ielem))
168 & +t1g(2,i)*thicke(1,indexe+j)*(0.5d0+offset(1,ielem))
169 & -t1g(1,i)*thicke(2,indexe+j)*(0.5d0+offset(2,ielem))
[all …]
H A Dtemperatures.f22 & nam_,namtot_,namta,amta,ipoinpc,t1g,iamplitudedefault,
49 & t1g(2,*)
296 t1g(1,l)=tempgrad1
297 t1g(2,l)=tempgrad2
327 t1g(1,ialset(j))=tempgrad1
328 t1g(2,ialset(j))=tempgrad2
338 t1g(1,k)=tempgrad1
339 t1g(2,k)=tempgrad2
H A Dresultsmech_u.f27 & ikin,nal,ne0,thicke,emeini,nelem,ielprop,prop,t0g,t1g) argument
46 real*8 co(3,*),v(0:mi(2),*),stiini(6,mi(1),*),t0g(2,*),t1g(2,*), local
71 & ikin,nal,ne0,thicke,emeini,nelem,ielprop,prop,t0g,t1g)
84 & ikin,nal,ne0,thicke,emeini,nelem,ielprop,prop,t0g,t1g)
98 & ikin,nal,ne0,thicke,emeini,nelem,ielprop,prop,t0g,t1g)
H A Dresultsmech_us45.f27 & ikin,nal,ne0,thicke,emeini,i,ielprop,prop,t0g,t1g) argument
226 & t1g(2,*),temp_grad0,temp_grad,dett,dettt,tmg(24,24),ueg(24), local
343 temp_grad = t1g(1,1)*Nrs(1)+t1g(1,2)*Nrs(2)
344 & +t1g(1,3)*Nrs(3)+t1g(1,4)*Nrs(4)
431 temp_grad = t1g(1,1)*Nrs(1)+t1g(1,2)*Nrs(2)
432 & +t1g(1,3)*Nrs(3)+t1g(1,4)*Nrs(4)
H A Dresultsmech_us3.f27 & ikin,nal,ne0,thicke,emeini,i,ielprop,prop,t0g,t1g) argument
241 & Ethm(3),Ethf(3),Em(3),Ef(3),alph6(6),t0g(2,*),t1g(2,*), local
310 temp_grad = (t1g(1,konl(1))+t1g(1,konl(2))+t1g(1,konl(3)))*di
H A Dinitialconditionss.f23 & ipkon,vold,ipoinpc,xstate,nstate_,nk,t0g,t1g,iaxial,ielprop, argument
50 & xmassflow,t0g(2,*),t1g(2,*),prop(*),turbini(0:mi(2)) local
119 t1g(1,l)=tempgrad1
120 t1g(2,l)=tempgrad2
155 t1g(1,ialset(j))=tempgrad1
156 t1g(2,ialset(j))=tempgrad2
169 t1g(1,k)=tempgrad1
170 t1g(2,k)=tempgrad2
H A Drestarts.f37 & ipoinp,inp,fmpc,tieset,ntie,tietol,ipoinpc,nslavs,t0g,t1g,nprop,
77 & xnor(*),thicke(*),offset(*),t0g(*),t1g(*),clearini(*),
135 & t0g,t1g,nprop,ielprop,prop,mortar,nintpoint,ifacecount,
H A Dstress_sen_dv.c54 *eme=NULL,kspart,dksper,*smscale=NULL,enerscal=0.,*t0g=NULL,*t1g=NULL, in stress_sen_dv() local
88 t0g,t1g,islavelinv,autloc,irowtloc,jqtloc, in stress_sen_dv()
H A Dstress_sen_dx.c51 *eme=NULL,kspart,dksper,*smscale=NULL,enerscal=0.,*t0g=NULL,*t1g=NULL, in stress_sen_dx() local
86 &enerscal,t0g,t1g,islavelinv,autloc,irowtloc,jqtloc, in stress_sen_dx()
H A DCalculiXstep.c554 NNEW(t1g,double,2*nk_); in CalculiXstep()
700 RENEW(t1g,double,2*nk_);DMEMSET(t1g,2**nk,2*nk_,0.); in CalculiXstep()
1049 SFREE(t0g);SFREE(t1g); in CalculiXstep()
1154 RENEW(t1g,double,2**nk); in CalculiXstep()
1377 orname,itempuser,t0g,t1g); in CalculiXstep()
1445 orname,&inewton,t0g,t1g); in CalculiXstep()
1481 &inewton,t0g,t1g); in CalculiXstep()
1511 orname,typeboun,t0g,t1g); in CalculiXstep()
1547 t0g,t1g); in CalculiXstep()
1584 &ndamp,dacon,t0g,t1g); in CalculiXstep()
[all …]
H A Dccx_2.18.c402 NNEW(t1g,double,2*nk_); in main()
548 RENEW(t1g,double,2*nk_);DMEMSET(t1g,2*nk,2*nk_,0.); in main()
876 SFREE(t0g);SFREE(t1g); in main()
980 RENEW(t1g,double,2*nk); in main()
1216 orname,itempuser,t0g,t1g); in main()
1284 orname,&inewton,t0g,t1g); in main()
1320 &inewton,t0g,t1g); in main()
1350 orname,typeboun,t0g,t1g); in main()
1386 t0g,t1g); in main()
1423 &ndamp,dacon,t0g,t1g); in main()
[all …]
H A Dreadnewmesh.c72 *t0=NULL,*t0g=NULL,*t1g=NULL,*prestr=NULL,*vold=NULL,*veold=NULL, in readnewmesh() local
78 ielorien=*ielorienp;inotr=*inotrp;t0=*t0p;t0g=*t0gp;t1g=*t1gp; in readnewmesh()
136 RENEW(t1g,double,2**nk_); in readnewmesh()
395 *ielorienp=ielorien;*inotrp=inotr;*t0p=t0;*t0gp=t0g;*t1gp=t1g; in readnewmesh()
H A Ddealloc_cal.c91 *prestr=NULL,*t0=NULL,*t1=NULL,*t1old=NULL,*t0g=NULL,*t1g=NULL, in dealloc_cal() local
114 t0g=*t0gp;t1g=*t1gp;irandomtype=*irandomtypep;randomval=*randomvalp; in dealloc_cal()
168 if((*ne1d!=0)||(*ne2d!=0)||(*nuel_!=0)){SFREE(t0g);SFREE(t1g);} in dealloc_cal()
223 *t0gp=t0g;*t1gp=t1g;*irandomtypep=irandomtype;*randomvalp=randomval; in dealloc_cal()
H A Drestartwrite.f36 & physcon,ctrl,typeboun,fmpc,tieset,ntie,tietol,nslavs,t0g,t1g,
82 & xnor(*),thicke(*),offset(*),t0g(*),t1g(*),clearini(*),
379 write(15)(t1g(i),i=1,2*nk)
H A Drestartread.f37 & t0g,t1g,nprop,ielprop,prop,mortar,nintpoint,ifacecount, argument
75 & xnor(*),thicke(*),offset(*),t0g(*),t1g(*),clearini(*), local
365 read(15)(t1g(i),i=1,2*nk)
H A Dgen3delem.f28 & icomposite,t0g,t1g,idefforc,iamt1,orname,orab,norien,norien_, argument
61 & tper,tmin,t0g(2,*),t1g(2,*),e1(3),e2(3),xt1(3),orab(7,*), local
478 & istep,ithermal,vold,mi,t0g,t1g,nam,iamt1)
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/cc/test/
H A Dtest_addons.py46 t1g = addons.spatial2spin(myrcc.t1)
49 t1a, t1b = addons.spin2spatial(t1g, orbspin)
54 self.assertAlmostEqual(abs(t1g - addons.spatial2spin((t1a,t1b), orbspin)).max(), 0, 12)
/dports/science/libghemical/libghemical-3.0.0/src/
H A Deng1_sf.cpp3349 f64 t1f; f64 t1g; // f and df/dx !!! in ComputeBT3() local
3371 t1g = -2.0 * bt3_vector[n1].tors[1] * t1h; in ComputeBT3()
3378 t1g = +2.0 * bt3_vector[n1].tors[1] * t1h; in ComputeBT3()
3383 t1g = 2.0 * bt3_vector[n1].tors[1] * t1h; in ComputeBT3()
3430 d1[l2g_sf[atmi[0]] * 3 + n2] += t1g * t4c[n2]; in ComputeBT3()
4125 f64 t1f[3]; f64 t1g[5][3]; // theta in ComputeNBT2() local
4149 t1g[0][n3] = t1g[1][n3] = t1g[2][n3] = t1g[3][n3] = t1g[4][n3] = 0.0; in ComputeNBT2()
4210 d1[l2g_sf[n2] * 3 + n3] += t3b * t1g[4][n3]; in ComputeNBT2()
4245 f64 t1f[3]; f64 t1g[5][3]; // theta1 * 1/2 in ComputeNBT2() local
4282 t1g[0][n3] = t1g[1][n3] = t1g[2][n3] = t1g[3][n3] = t1g[4][n3] = 0.0; in ComputeNBT2()
[all …]
H A Dsasaeval.cpp524 f64 t1g[3]; // d(cos phi) / dXj in Evaluate() local
525 t1g[0] = (coit[n2].dv[0] - t1b * coit[n3].dv[0]) / coit[n3].dist; in Evaluate()
526 t1g[1] = (coit[n2].dv[1] - t1b * coit[n3].dv[1]) / coit[n3].dist; in Evaluate()
527 t1g[2] = (coit[n2].dv[2] - t1b * coit[n3].dv[2]) / coit[n3].dist; in Evaluate()
535 t2f[0] = (t1g[0] * (2.0 * t2a * t1b - coit[n3].g) - t1b * coit[n3].dg[0]) / t1c; in Evaluate()
536 t2f[1] = (t1g[1] * (2.0 * t2a * t1b - coit[n3].g) - t1b * coit[n3].dg[1]) / t1c; in Evaluate()
537 t2f[2] = (t1g[2] * (2.0 * t2a * t1b - coit[n3].g) - t1b * coit[n3].dg[2]) / t1c; in Evaluate()
545 t2h[0] = (t1g[0] * (2.0 * t2b * t1b - coit[n2].g) + coit[n3].dg[0]) / t1c; in Evaluate()
546 t2h[1] = (t1g[1] * (2.0 * t2b * t1b - coit[n2].g) + coit[n3].dg[1]) / t1c; in Evaluate()
547 t2h[2] = (t1g[2] * (2.0 * t2b * t1b - coit[n2].g) + coit[n3].dg[2]) / t1c; in Evaluate()
[all …]
H A Deng1_mm_prmfit.cpp854 f64 t1g[3]; in ComputeBT3() local
855 t1g[0] = bt1data[index1[2]].dlen[dir1[2]][1] * bt1data[index1[3]].dlen[dir1[3]][2] - in ComputeBT3()
857 t1g[1] = bt1data[index1[2]].dlen[dir1[2]][2] * bt1data[index1[3]].dlen[dir1[3]][0] - in ComputeBT3()
859 t1g[2] = bt1data[index1[2]].dlen[dir1[2]][0] * bt1data[index1[3]].dlen[dir1[3]][1] - in ComputeBT3()
862 f64 t1h = t1c[0][0] * t1g[0] + t1c[0][1] * t1g[1] + t1c[0][2] * t1g[2]; in ComputeBT3()
1011 f64 t1g = 2.0 * bt4_vector[n1].fc * t1f / sqrt(1.0 - t1e * t1e); in ComputeBT4() local
1073 d1[l2g_mm[atmi[0]] * 3 + n2] += tmp1a * t1g; in ComputeBT4()
1074 d1[l2g_mm[atmi[1]] * 3 + n2] -= (tmp1a + tmp3a + tmp4a) * t1g; in ComputeBT4()
1075 d1[l2g_mm[atmi[2]] * 3 + n2] += tmp3a * t1g; in ComputeBT4()
1076 d1[l2g_mm[atmi[3]] * 3 + n2] += tmp4a * t1g; in ComputeBT4()
H A Deng1_mm_default.cpp848 f64 t1g[3]; in ComputeBT3() local
849 t1g[0] = bt1data[index1[2]].dlen[dir1[2]][1] * bt1data[index1[3]].dlen[dir1[3]][2] - in ComputeBT3()
851 t1g[1] = bt1data[index1[2]].dlen[dir1[2]][2] * bt1data[index1[3]].dlen[dir1[3]][0] - in ComputeBT3()
853 t1g[2] = bt1data[index1[2]].dlen[dir1[2]][0] * bt1data[index1[3]].dlen[dir1[3]][1] - in ComputeBT3()
856 f64 t1h = t1c[0][0] * t1g[0] + t1c[0][1] * t1g[1] + t1c[0][2] * t1g[2]; in ComputeBT3()
1034 f64 t1g = 2.0 * bt4_vector[n1].fc * t1f / sqrt(1.0 - t1e * t1e); in ComputeBT4() local
1096 d1[l2g_mm[atmi[0]] * 3 + n2] += tmp1a * t1g; in ComputeBT4()
1097 d1[l2g_mm[atmi[1]] * 3 + n2] -= (tmp1a + tmp3a + tmp4a) * t1g; in ComputeBT4()
1098 d1[l2g_mm[atmi[2]] * 3 + n2] += tmp3a * t1g; in ComputeBT4()
1099 d1[l2g_mm[atmi[3]] * 3 + n2] += tmp4a * t1g; in ComputeBT4()
H A Deng1_mm_tripos52.cpp697 f64 t1g[3]; in ComputeBT3() local
698 t1g[0] = bt1data[index1[2]].dlen[dir1[2]][1] * bt1data[index1[3]].dlen[dir1[3]][2] - in ComputeBT3()
700 t1g[1] = bt1data[index1[2]].dlen[dir1[2]][2] * bt1data[index1[3]].dlen[dir1[3]][0] - in ComputeBT3()
702 t1g[2] = bt1data[index1[2]].dlen[dir1[2]][0] * bt1data[index1[3]].dlen[dir1[3]][1] - in ComputeBT3()
705 f64 t1h = t1c[0][0] * t1g[0] + t1c[0][1] * t1g[1] + t1c[0][2] * t1g[2]; in ComputeBT3()
/dports/science/simbody/simbody-Simbody-3.7/Simbody/src/
H A DElasticFoundationForce.cpp137 …const Transform t1g = body1.getBodyTransform(state)*subsystem.getBodyTransform(set, meshIndex); //… in processContact() local
139 const Transform t12 = ~t2g*t1g; // mesh to other object in processContact()
155 const Vec3 springPosInGround = t1g*param.springPosition[face]; in processContact()
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/c60_ecp/
H A Dc60_ecp.out640 t1g 30
686 36 t2u 37 t1g 38 t1g 39 t1g 40 hg
703 121 t1u 122 t1u 123 t1u 124 t1g 125 t1g
758 36 t2u 37 t1g 38 t1g 39 t1g 40 hg
775 121 t1u 122 t1u 123 t1u 124 t1g 125 t1g
1209 Vector 37 Occ=2.000000D+00 E=-8.939105D-01 Symmetry=t1g
1216 Vector 38 Occ=2.000000D+00 E=-8.939105D-01 Symmetry=t1g
1223 Vector 39 Occ=2.000000D+00 E=-8.939105D-01 Symmetry=t1g
1910 Vector 124 Occ=0.000000D+00 E= 1.460034D-02 Symmetry=t1g
1920 Vector 125 Occ=0.000000D+00 E= 1.460034D-02 Symmetry=t1g
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/c60_ecp/
H A Dc60_ecp.out640 t1g 30
686 36 t2u 37 t1g 38 t1g 39 t1g 40 hg
703 121 t1u 122 t1u 123 t1u 124 t1g 125 t1g
758 36 t2u 37 t1g 38 t1g 39 t1g 40 hg
775 121 t1u 122 t1u 123 t1u 124 t1g 125 t1g
1209 Vector 37 Occ=2.000000D+00 E=-8.939105D-01 Symmetry=t1g
1216 Vector 38 Occ=2.000000D+00 E=-8.939105D-01 Symmetry=t1g
1223 Vector 39 Occ=2.000000D+00 E=-8.939105D-01 Symmetry=t1g
1910 Vector 124 Occ=0.000000D+00 E= 1.460034D-02 Symmetry=t1g
1920 Vector 125 Occ=0.000000D+00 E= 1.460034D-02 Symmetry=t1g
[all …]

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