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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/hotint/HotInt_V1/ElementsLib/
H A DPlaneSymmetricTensorComponents.cpp29 this->t22 = t22; in SetComponents()
46 t22 *= k; in operator *=()
54 t22 += T.t22; in operator +=()
62 t22 -= T.t22; in operator -=()
70 return A.t11*A.t11*(C1 + C2)*t11*T.t11 + A.t22*A.t22*(C1 + C2)*t22*T.t22 + in Convolute()
72 2*A.t12*A.t22*(C1 + C2)*(t22*T.t12 + t12*T.t22) + in Convolute()
74 A.t22*(C1*t22*T.t11 + 2*C2*t12*T.t12 + C1*t11*T.t22)); in Convolute()
81 return A.t11*A.t11*(C1 + C2)*t11*t11 + 4*A.t12*A.t22*(C1 + C2)*t12*t22 + in SelfConvolute()
82 A.t22*A.t22*(C1 + C2)*t22*t22 + in SelfConvolute()
83 2*A.t11*(t12*(2*A.t12*(C1 + C2)*t11 + A.t22*C2*t12) + A.t22*C1*t11*t22) + in SelfConvolute()
[all …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/
H A Dfun-pw86x.c337 t2*t21*t22*t35; in pw86x_third_helper()
342 t2*pow(t20,3.0)*t22*t36+0.28*t1*t2*t20*t22*t28*t32-0.4*t1* in pw86x_third_helper()
477 t2*t21*t22*t35; in pw86x_fourth_helper()
483 t1*t2*t22*t25*t27*t38+0.186666666666667*t1*t2*t20*t22*t28* in pw86x_fourth_helper()
488 t1*t2*t20*t22*t34*t38+0.093333333333333*t1*t2*t20*t22*t28* in pw86x_fourth_helper()
492 t2*t22*t38*t45+0.14*t1*t2*t22*t25*t28*t35; in pw86x_fourth_helper()
496 t1*t2*pow(t20,4.0)*t22*t47+0.373333333333333*t1*t2*t20*t22* in pw86x_fourth_helper()
505 t1*t2*t22*t25*t28*t42-0.1*t1*t2*t21*t22*(-29.568*t10*t11*grada* in pw86x_fourth_helper()
507 t1*t2*t22*t27*t33*t38-0.541333333333333*t1*t2*t20*t22*t25* in pw86x_fourth_helper()
528 t1*t2*t22*t25*t28*t44-0.541333333333333*t1*t2*t20*t22*t25* in pw86x_fourth_helper()
[all …]
H A Dfun-pw91x2.c390 t21*t22; in pw91x2_third_helper()
400 t22*t23+t29*t22*t17; in pw91x2_third_helper()
408 t22*t23; in pw91x2_third_helper()
446 t22*t49-4.0*t23*t29*t37*t46+2.0*t22*t28*t46+2.0*t22*t29*t45+ in pw91x2_third_helper()
563 t21*t22; in pw91x2_fourth_helper()
573 t22*t23+t29*t22*t17; in pw91x2_fourth_helper()
581 t22*t23; in pw91x2_fourth_helper()
599 3.0*t17*t22*t40-6.0*t17*t36*t37+3.0*t21*t22*t35+t63*t22*t23; in pw91x2_fourth_helper()
613 4.0*t17*t21*t29*t37+t29*t22*t35+t40*t22*t28+t69*t22*t23; in pw91x2_fourth_helper()
632 3.0*t22*t28*t51-6.0*t28*t37*t50+3.0*t22*t29*t49+t78*t22*t23; in pw91x2_fourth_helper()
[all …]
H A Dfun-ft97ax.c356 t21*t22*t17-0.0021975*t1*t31*t19*t22*t17-0.004395*t1*t36*t15* in ft97ax_third_helper()
364 t15*t40*t22*t17-0.004395*t1*t36*t19*t22*t17-0.00879*grada* in ft97ax_third_helper()
371 grada*t37*t22*t17-0.0065925*t1*t40*t19*t22*t17+0.00879*grada* in ft97ax_third_helper()
533 t17-0.0021975*t1*t31*t19*t22*t17-0.004395*grada*t21*t22*t17- in ft97ax_fourth_helper()
540 t1*t36*t19*t22*t17-0.0021975*t1*t15*t40*t22*t17+0.00549375* in ft97ax_fourth_helper()
566 t22*t7+0.00879*t1*t31*t19*t22*t7+0.01758*t1*t36*t15*t22*t7- in ft97ax_fourth_helper()
580 t22*t7+0.01172*t1*t36*t19*t22*t7+0.02344*grada*t15*t19*t22* in ft97ax_fourth_helper()
589 t22*t17-0.00879*grada*t31*t19*t22*t17-0.004395*t1*t62*t15* in ft97ax_fourth_helper()
602 t62*t19*t22*t17-0.02637*grada*t36*t19*t22*t17-0.013185*t15* in ft97ax_fourth_helper()
603 t19*t22*t17-0.0021975*t1*t66*t15*t22*t17+0.00879*grada*t62* in ft97ax_fourth_helper()
[all …]
/dports/math/cgal/CGAL-5.3/include/CGAL/Cartesian/
H A DAff_transformation_rep_2.h96 t21(m21), t22(m22), t23(0) in Aff_transformation_repC2()
102 t21(m21), t22(m22), t23(m23) in Aff_transformation_repC2()
116 t21 * v.x() + t22 * v.y()); in transform()
154 case 1: return t22; in cartesian()
176 FT t21, t22, t23; variable
185 FT det = FT(1) / (t11 * t22 - t12 * t21); in inverse()
187 det * t22, det * (-t12), det * (t12*t23-t13*t22), in inverse()
207 t.t11*t12 + t.t12*t22, in compose()
209 t.t21*t11 + t.t22*t21, in compose()
210 t.t21*t12 + t.t22*t22, in compose()
[all …]
H A DAff_transformation_rep_3.h94 t21(m21), t22(m22), t23(m23), t24(FT(0)), in Aff_transformation_repC3()
104 t21(m21), t22(m22), t23(m23), t24(m24), in Aff_transformation_repC3()
160 t21, t22, t23, in is_even()
179 case 1: return t22; in cartesian()
211 FT t21, t22, t23, t24; variable
221 determinant( t22, t23, t32, t33), // i 11 in inverse()
223 determinant( t12, t13, t22, t23), // i 13 in inverse()
260 t.t21*t12 + t.t22*t22 + t.t23*t32, in compose()
282 t22, in compose()
304 t.scalefactor_ * t22, in compose()
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/
H A Dlda_x_sloc.c129 double t21, t22, t26; in func_ferr() local
179 t22 = 0.1e1 / t21; in func_ferr()
182 v3rho3[0] = -t12 * t26 * t22 * t6 + t12 * params->b * t22 * t6; in func_ferr()
302 t22 = t11 * t1; in func_pol()
349 t86 = t22 * t72 * t27 + t30 * t82 * t32 - t22 * t66 - t30 * t80 + t62 * t66 + t76 * t80; in func_pol()
359 …t107 = 0.2e1 * t22 * t70 * t27 - 0.2e1 * t30 * t70 * t32 - t30 * t101 + t76 * t101 - t22 * t94 + t… in func_pol()
369 t127 = t22 * t116 * t27 + t30 * t123 * t32 - t22 * t113 + t62 * t113 - t30 * t121 + t76 * t121; in func_pol()
418 t224 = t22 * t7; in func_pol()
442 t284 = t22 * t38; in func_pol()
530 t570 = 0.24e2 * t22 * t435 * t27; in func_pol()
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/
H A Dnwxcm_x_camb88.F165 t22 = 1/t12
235 t22 = 1/t10
351 t22 = 1/t12
732 7 *t20*t22*t66*t9+1.329807601338106d-1*t10*t22*t34*t48*t9-2
982 2 *rhoa*t22*t98*t99-3.759942411946509d+0*t22*t54*t55-1.8799
1016 < 0*t22*t73*t74-1.8799712059732546d+0*rhob*t119*t22*t74+2.8
1029 2 0*rhoa*t22*t54*t86*t99-1.8799712059732546d+0*t22*t55*t86-
1246 7 t20*t22*t66*t9+1.329807601338106d-1*t10*t22*t34*t48*t9-2.
1412 7 t20*t22*t66*t9+1.329807601338106d-1*t10*t22*t34*t48*t9-2.
1724 1 -1*t10*t20*t22*t76*t9+1.329807601338106d-1*t10*t22*t34*t4
[all …]
H A Dnwxcm_c_pbe.F157 t22 = 1/t3**3.0d+0
221 t22 = 1/t11**4.0d+0
321 t22 = 1/t3**3.0d+0
369 t22 = 1/t3**3.0d+0
553 t22 = 1/t3**3.0d+0
978 + *t21*t22*t23*t55*t89-1.6669082371342397d+1*t20*t21*t22
2275 + *t22*t23*t55*t93-1.6669082371342397d+1*t20*t21*t22*t24
3362 + *t19*t22*t51*t56*t89+5.001403976234643d+1*t1*t10*t13*t22
3670 + *t19*t22*t51*t68*t89+5.001403976234643d+1*t1*t10*t13*t22
4232 + *t22*t28*t33*t37-1.2601958624115575d+0*t1*t10*t16*t22
[all …]
H A Dnwxcm_x_sogga.F137 t22 = param(12)
191 t22 = param(11)
276 t22 = param(12)
322 t22 = param(12)
482 t22 = param(12)
615 t22 = param(11)
855 t22 = param(12)
974 t22 = param(12)
1214 t22 = param(12)
1513 t22 = param(11)
[all …]
H A Dnwxcm_x_camlsd.F163 t23 = t22-1.0d+0
184 4 t22+3.333333333333333d-1*t22/rhob)+4.605753341764586d+0*t
376 1 0993d-1*t1*t22)*wght+Amat(iq,D1_RA)
416 t23 = t22-1.0d+0
435 1 t22*t36-1.0128444160768044d+1*t11*t19*t22
464 3 258538111779629d+2*t21*t22*t42-5.555555555555555d-1*t22/r
754 t23 = t22-1.0d+0
773 1 t22*t36-1.0128444160768044d+1*t11*t19*t22
795 1 *t22*t50+1.0258538111779629d+2*t21*t22*t44
838 4 t22*t48-6.839025407853085d+1*t22*t35*t44+1.48148148148148
[all …]
H A Dnwxcm_c_mpbe.F219 t22 = 1/t8**4
547 t22 = 1/rhoa**3.3333333333333337d+0
726 t22 = 1/t8**4
1132 t35 = t22**2
1238 t35 = t22**2
2038 t22 = 1/t8**4
3317 + *t22*t54*t63-4.4080462270883236d+2*t107*t14*t19*t20*t22
3798 t35 = t22**2
3854 t65 = t22**3
4043 t35 = t22**2
[all …]
H A Dnwxcm_x_pw6.F188 t25 = 1/t22
266 3 6666d+0*gammaaa*t21*t22*t8-1.3333333333333333d-6*t1*t22*t
305 3 6666d+0*gammabb*t21*t22*t8-1.3333333333333333d-6*t1*t22*t
652 Cmat(iq,D1_GBB) = (1.0d+0*t22*t28*t74-1.0d+0*t22*t31*t49*t76
680 6 0d+0*t22*t58*t97-1.0d+0*t22*t65*t91)+t28*t53*(1.333333333
710 3 6*t97-1.0d+0*t22*t74*t91)+2.0d+0*t22*t31*t76*t89*t91+1.0d
730 3 2.0d+0*t22*t31*t76**2*t89+1.0d+0*t22*t28*(gammabb*t15*t30
1445 t146 = -1.0d+0*t129*t22*t76-1.0d+0*t111*t22*t74-1.0d+0*t145*
1467 t163 = -2.0d+0*t22*t74*t76-1.0d+0*t162*t22*t31
1497 t189 = -1.0d+0*t188*t22*t31-2.0d+0*t111*t129*t22
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/
H A Dnwxcm_x_camb88.F165 t22 = 1/t12
235 t22 = 1/t10
351 t22 = 1/t12
732 7 *t20*t22*t66*t9+1.329807601338106d-1*t10*t22*t34*t48*t9-2
982 2 *rhoa*t22*t98*t99-3.759942411946509d+0*t22*t54*t55-1.8799
1016 < 0*t22*t73*t74-1.8799712059732546d+0*rhob*t119*t22*t74+2.8
1029 2 0*rhoa*t22*t54*t86*t99-1.8799712059732546d+0*t22*t55*t86-
1246 7 t20*t22*t66*t9+1.329807601338106d-1*t10*t22*t34*t48*t9-2.
1412 7 t20*t22*t66*t9+1.329807601338106d-1*t10*t22*t34*t48*t9-2.
1724 1 -1*t10*t20*t22*t76*t9+1.329807601338106d-1*t10*t22*t34*t4
[all …]
H A Dnwxcm_c_pbe.F157 t22 = 1/t3**3.0d+0
221 t22 = 1/t11**4.0d+0
321 t22 = 1/t3**3.0d+0
369 t22 = 1/t3**3.0d+0
553 t22 = 1/t3**3.0d+0
978 + *t21*t22*t23*t55*t89-1.6669082371342397d+1*t20*t21*t22
2275 + *t22*t23*t55*t93-1.6669082371342397d+1*t20*t21*t22*t24
3362 + *t19*t22*t51*t56*t89+5.001403976234643d+1*t1*t10*t13*t22
3670 + *t19*t22*t51*t68*t89+5.001403976234643d+1*t1*t10*t13*t22
4232 + *t22*t28*t33*t37-1.2601958624115575d+0*t1*t10*t16*t22
[all …]
H A Dnwxcm_x_sogga.F137 t22 = param(12)
191 t22 = param(11)
276 t22 = param(12)
322 t22 = param(12)
482 t22 = param(12)
615 t22 = param(11)
855 t22 = param(12)
974 t22 = param(12)
1214 t22 = param(12)
1513 t22 = param(11)
[all …]
H A Dnwxcm_x_camlsd.F163 t23 = t22-1.0d+0
184 4 t22+3.333333333333333d-1*t22/rhob)+4.605753341764586d+0*t
376 1 0993d-1*t1*t22)*wght+Amat(iq,D1_RA)
416 t23 = t22-1.0d+0
435 1 t22*t36-1.0128444160768044d+1*t11*t19*t22
464 3 258538111779629d+2*t21*t22*t42-5.555555555555555d-1*t22/r
754 t23 = t22-1.0d+0
773 1 t22*t36-1.0128444160768044d+1*t11*t19*t22
795 1 *t22*t50+1.0258538111779629d+2*t21*t22*t44
838 4 t22*t48-6.839025407853085d+1*t22*t35*t44+1.48148148148148
[all …]
H A Dnwxcm_c_mpbe.F219 t22 = 1/t8**4
547 t22 = 1/rhoa**3.3333333333333337d+0
726 t22 = 1/t8**4
1132 t35 = t22**2
1238 t35 = t22**2
2038 t22 = 1/t8**4
3317 + *t22*t54*t63-4.4080462270883236d+2*t107*t14*t19*t20*t22
3798 t35 = t22**2
3854 t65 = t22**3
4043 t35 = t22**2
[all …]
H A Dnwxcm_x_pw6.F188 t25 = 1/t22
266 3 6666d+0*gammaaa*t21*t22*t8-1.3333333333333333d-6*t1*t22*t
305 3 6666d+0*gammabb*t21*t22*t8-1.3333333333333333d-6*t1*t22*t
652 Cmat(iq,D1_GBB) = (1.0d+0*t22*t28*t74-1.0d+0*t22*t31*t49*t76
680 6 0d+0*t22*t58*t97-1.0d+0*t22*t65*t91)+t28*t53*(1.333333333
710 3 6*t97-1.0d+0*t22*t74*t91)+2.0d+0*t22*t31*t76*t89*t91+1.0d
730 3 2.0d+0*t22*t31*t76**2*t89+1.0d+0*t22*t28*(gammabb*t15*t30
1445 t146 = -1.0d+0*t129*t22*t76-1.0d+0*t111*t22*t74-1.0d+0*t145*
1467 t163 = -2.0d+0*t22*t74*t76-1.0d+0*t162*t22*t31
1497 t189 = -1.0d+0*t188*t22*t31-2.0d+0*t111*t129*t22
[all …]
/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/
H A Di2311.cc25 double t22; in i2311() local
132 t22=t19+t17; in i2311()
152 t26=t10+t22; in i2311()
154 t22=t1*t16; in i2311()
155 t28=t22+t10; in i2311()
471 t19=t2*t22; in i2311()
483 t22=t2*t52; in i2311()
532 t12=t1*t22; in i2311()
559 t12=t2*t22; in i2311()
610 t1=t25*t22; in i2311()
[all …]
H A Di3311.cc25 double t22; in i3311() local
132 t22=t19+t17; in i3311()
152 t26=t10+t22; in i3311()
154 t22=t1*t16; in i3311()
155 t28=t22+t10; in i3311()
458 t19=t2*t22; in i3311()
469 t22=t2*t52; in i3311()
516 t12=t1*t22; in i3311()
543 t12=t2*t22; in i3311()
591 t1=t25*t22; in i3311()
[all …]
H A Di1311.cc25 double t22; in i1311() local
136 t22=t19+t17; in i1311()
156 t26=t10+t22; in i1311()
158 t22=t1*t16; in i1311()
159 t28=t22+t10; in i1311()
479 t19=t2*t22; in i1311()
491 t22=t2*t52; in i1311()
542 t12=t1*t22; in i1311()
570 t12=t2*t22; in i1311()
622 t1=t25*t22; in i1311()
[all …]
H A Di0311.cc25 double t22; in i0311() local
139 t22=t19+t17; in i0311()
159 t26=t10+t22; in i0311()
161 t22=t1*t16; in i0311()
162 t28=t22+t10; in i0311()
484 t19=t2*t22; in i0311()
496 t22=t2*t52; in i0311()
547 t12=t1*t22; in i0311()
575 t12=t2*t22; in i0311()
627 t1=t25*t22; in i0311()
[all …]
H A Di1222AB.cc25 double t22; in i1222eAB() local
125 t22=t19+t10; in i1222eAB()
126 t10=t3*t22; in i1222eAB()
156 t30=t3*t22; in i1222eAB()
182 t41=t29*t22; in i1222eAB()
183 t22=t34*t7; in i1222eAB()
184 t42=t22+t41; in i1222eAB()
185 t22=t4*t42; in i1222eAB()
186 t41=t22+t38; in i1222eAB()
187 t22=t4*t41; in i1222eAB()
[all …]
H A Di1301AB.cc25 double t22; in i1301eAB() local
125 t23=t22+t21; in i1301eAB()
265 t17=t22+t19; in i1301eAB()
267 t22=t47*t19; in i1301eAB()
268 t19=t22+t17; in i1301eAB()
269 t22=t47*t19; in i1301eAB()
273 t36=t8+t22; in i1301eAB()
285 t22=t5*t49; in i1301eAB()
497 t9=t47*t22; in i1301eAB()
503 t22=t5*t64; in i1301eAB()
[all …]

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