| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
| H A D | fun-ft97ax.c | 228 t20*t17+0.00293*grada*t15*t16*t17; in ft97ax_second_helper()
339 t1*t40*t16*t17-0.0021975*t1*t37*t22*t17; in ft97ax_third_helper()
357 t22*t17+0.00293*grada*t31*t16*t17; in ft97ax_third_helper()
366 t17; in ft97ax_third_helper()
372 t40*t16*t17+0.00879*t19*t16*t17; in ft97ax_third_helper()
527 t1*t40*t16*t17-0.0021975*t1*t37*t22*t17; in ft97ax_fourth_helper()
533 t17-0.0021975*t1*t31*t19*t22*t17-0.004395*grada*t21*t22*t17- in ft97ax_fourth_helper()
574 t31*t15*t22*t17+0.00293*grada*t54*t16*t17; in ft97ax_fourth_helper()
591 t17+0.00293*t31*t16*t17; in ft97ax_fourth_helper()
604 t16*t17+0.00879*t36*t16*t17; in ft97ax_fourth_helper()
[all …]
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| H A D | fun-dk87x.c | 329 t15*t11*t27*t17+0.001420188397475*t30*t8*t26*t17; in dk87x_third_helper()
333 t23*t8*t31*t17+0.014712903376257*t34*t11*t12*t17+0.00352872* in dk87x_third_helper()
475 t51*t8*t26*t17+0.001420188397475*t30*t8*t26*t17-8.436119578187277E-5* in dk87x_fourth_helper()
481 t23*t8*t31*t17+6.327089683640457E-5*t25*t19*t53*t17+0.00352872* in dk87x_fourth_helper()
485 t15*t8*t33*t17-4.745317262730343E-5*t30*t19*t55*t17+0.00133626980448* in dk87x_fourth_helper()
497 t43*t19*t59*t17+0.047488129682891*t25*t8*t54*t17-0.238586906834203* in dk87x_fourth_helper()
498 t23*t11*t32*t17; in dk87x_fourth_helper()
507 t15*t11*t46*t17-0.021633646318243*t51*t8*t45*t17-0.008465436722204* in dk87x_fourth_helper()
508 t30*t8*t45*t17+0.001938057871096*t49*t19*t44*t17; in dk87x_fourth_helper()
516 t34*t11*t27*t17+0.011278802090771*t23*t8*t26*t17; in dk87x_fourth_helper()
[all …]
|
| /dports/biology/avida/avida-2.12.4-src/libs/apto/unittests/stat/ |
| H A D | Functions.cc | 204 t17[ 0][0] = 3; t17[ 0][1] = 7; in TEST()
205 t17[ 1][0] = 1; t17[ 1][1] = 9; in TEST()
206 t17[ 2][0] = 10; t17[ 2][1] = 0; in TEST()
207 t17[ 3][0] = 0; t17[ 3][1] = 10; in TEST()
208 t17[ 4][0] = 4; t17[ 4][1] = 6; in TEST()
209 t17[ 5][0] = 3; t17[ 5][1] = 7; in TEST()
210 t17[ 6][0] = 3; t17[ 6][1] = 7; in TEST()
211 t17[ 7][0] = 2; t17[ 7][1] = 8; in TEST()
212 t17[ 8][0] = 0; t17[ 8][1] = 10; in TEST()
213 t17[ 9][0] = 2; t17[ 9][1] = 8; in TEST()
[all …]
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
| H A D | nwxcm_x_cams12.F | 270 t29 = 1/t17
343 6 1*t17*t18*t28*t30*t60-2.659615202676212d-1*t17*t20*t23*t2
355 6 1*t17*t42*t50*t51*t69-2.659615202676212d-1*t17*t44*t46*t5
867 1 t17*t19*(2.659615202676212d-1*t16*t17*t19*(1.413716694115
877 ; *t16*t17*t30*t41*t78-3.5461536035682834d-1*t15*t16*t17*t2
1136 1 t16*t17*t18*t30*t62*t70+7.092307207136567d-1*t16*t17*t20*
1138 3 2676212d-1*t17*t18*t30*t62*t69-5.319230405352424d-1*t17*t
1150 ? d-1*t17*t23*t28*t30*t62+1.329807601338106d-1*t115*t17*t18
1163 1 t16*t17*t42*t51*t80*t88+7.092307207136567d-1*t16*t17*t44*
1165 3 2676212d-1*t17*t42*t51*t80*t87-5.319230405352424d-1*t17*t
[all …]
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| H A D | nwxcm_c_perdew86.F | 169 t17 = 1/t16
449 3 4d-4*t14*t17*t3*t30*wght+7.937005259840999d-1*t12*t17*t30
451 5 005259840999d-1*t17*t27*wght)-2.5d-1*t12*t17*t20*t6*t8*wg
462 2 gammaaa*t17*t27*wght)-1.0d+0*gammaaa*t12*t17*t20*t6*t8*wg
478 4 997d+0*t12*t17*t30*wght-5.748129360574893d-4*t13*t14*t17*
480 6 2*t17*t20*t6*t8*wght+1.2070315298178438d-4*t1*t16*t17*t3*
1006 1 ammaaa*t12*t17*t49*wght+3.1748021039363994d+0*gammaaa*t17
1023 1 ammaaa*t12*t17*t59*wght-2.8740646802874464d-4*t14*t17*t3*
1026 4 t17*t27*wght)-2.5d-1*t12*t17*t20*t6*t8*wght+6.03515764908
1027 5 9219d-5*t1*t16*t17*t3*t57*wght+7.185161700718616d-5*t17*t
[all …]
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| H A D | nwxcm_x_wpbe.F | 331 t17 = t4**9
929 3 5+t16*t17*t25-gammaaa*t154*t16*t17*t231)-5.0d-1*t181*t233
946 4 *t17*t231*t50+3.2910615692041123d-2*gammaaa*t16*t17*t170*
1186 < 6*t17*t83+t16*t17*t25+gammaaa*t118*t16*t25)-5.0d-1*t110*t
1406 < 6*t17*t83+t16*t17*t25+gammabb*t118*t16*t25)-5.0d-1*t110*t
2895 4 *t16*t17*t337*t338+6.780349745185891d-1*gammaaa*t17*t25*t
3108 2 16*t163*t17*t477+1.386889720606205d-1*gammaaa*t16*t17*t33
3173 5 6*t163*t17*t345+2*gammaaa*t16*t17*t337*t338+9.77777777777
3362 8 62*t163*t17*t61*t65-1.6455307846020562d-2*gammaaa*t16*t17
3381 ; t163*t17*t193*t194*t270*t61-1.6455307846020562d-2*t16*t17
[all …]
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| H A D | nwxcm_x_sogga.F | 224 5 mmaaa*t17*t25*t42-4.9070519014451675d-2*gammaaa*t17*t23*t
243 4 419378d-2*t17*t23*t24+1.4721155704335503d-2*t17*t21*t22+1
687 2 78d-2*t17*t23*t24+1.4721155704335503d-2*t17*t21*t22+1.104
688 3 0866778251626d-2*t17*t19*t20+7.360577852167751d-3*t16*t17
714 2 53d-5*t17*t25*t52*t54-4.815831672695327d-4*t17*t23*t24*t5
759 > *t17*t21*t22*t64+1.0835621263564485d-4*gammaaa*t17*t19*t2
763 2 0335d-3*t17*t25*t43-4.9070519014451675d-2*t17*t23*t24*t43
765 4 -2*t17*t19*t20*t43-1.962820760578067d-2*t16*t17*t18*t43)-
771 : 4335503d-2*t17*t21*t22*t5+1.1040866778251626d-2*t17*t19*t
814 7 289727805d-5*t17*t23*t24*t5-5.417810631782243d-5*t17*t21*
[all …]
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| H A D | nwxcm_x_pw6.F | 228 1 ammaaa*t15*t16*t17/t5**1.6d+1+t14*t15*t17)-1.0d+0*t18*t32
513 7 t23)+2.0d+0*t17*t25*t35*t36*t5-1.3333333333333333d+0*t17*
606 1 15*t17
699 6 aaa*t15*t16*t17*t36*t45-2.6666666666666666d+0*t15*t17*t35
774 1 15*t17
873 1 15*t17
1200 7 39*t68+1.4814814814814814d+0*t12*t17*t26*t67-6.0d+0*t17*t
1208 ? 6*t38+8.888888888888888d-1*t12*t17*t38+8.0d+0*t17*t23*t26
1247 8 t23*t28)-6.0d+0*t17*t25*t5*t61*t66+t36*(2.0d+0*t17*t25*t5
1350 1 15*t17
[all …]
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| H A D | nwxcm_x_pw91.F | 151 6 3333d+0*t12*t16*t17*t18-1.2407009817987999d+0*t17*t18)*wg
511 ? 878658666d-1*t17*t35+2.6666666666666666d+0*t12*t17*t18*t2
679 ? 1-1.3333333333333333d+0*t17*t31*t41)+2.0d+0*t17*t3*t41*t7
823 ? 6-1.3333333333333333d+0*t17*t18*t28)+2.0d+0*t17*t28*t3*t4
922 ? 6-1.3333333333333333d+0*t17*t18*t28)+2.0d+0*t17*t28*t3*t4
1213 8 0*t12*t16*t17*t64-1.378556646443111d+0*t17*t64+t38*(-2*t2
1220 ? 66666d+0*t12*t17*t28*t35+2.6666666666666666d+0*t16*t17*t1
1242 2 *t17*t25*t32)+2.6666666666666666d+0*t12*t17*t18*t52+5.333
1258 7 3d+0*t16*t17*t62-2.6666666666666666d+0*t17*t32*t34)+1.0d+
1262 ; 6666d+0*t16*t17*t18*t38*t59+1.3333333333333333d+0*t12*t17
[all …]
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| H A D | nwxcm_c_pbeop.F | 112 t18 = 1/t17
158 t17 = 1/t2**2
162 1 *t17*t18
638 3 t17*t21*t30*t36*t6*t7-2.240770877472425d-3*t1*t17*t21*t29
776 8 t17*t20*t21*t36*t6*t7-1.612806413056766d-1*t1*t17*t21*t22
820 4 t17*t27*t28*t36*t9+5.254465552928875d-2*t1*t17*t3*t30*t35
885 3 d-5*t1*t17*t27*t36*t40*t9+3.53221601630552d-4*t1*t17*t27*
896 > *t1*t17*t27*t36*t40*t9+4.762418864947907d-4*t1*t17*t27*t3
1381 2 77406d+1*t17*t19*t91+5.156620156177406d+1*t17*t20*t87+1.3
2479 2 *t17*t47*wght-3.3344672134215625d-1*rhoa*rhob*t17*t18*t25
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
| H A D | nwxcm_x_cams12.F | 270 t29 = 1/t17
343 6 1*t17*t18*t28*t30*t60-2.659615202676212d-1*t17*t20*t23*t2
355 6 1*t17*t42*t50*t51*t69-2.659615202676212d-1*t17*t44*t46*t5
867 1 t17*t19*(2.659615202676212d-1*t16*t17*t19*(1.413716694115
877 ; *t16*t17*t30*t41*t78-3.5461536035682834d-1*t15*t16*t17*t2
1136 1 t16*t17*t18*t30*t62*t70+7.092307207136567d-1*t16*t17*t20*
1138 3 2676212d-1*t17*t18*t30*t62*t69-5.319230405352424d-1*t17*t
1150 ? d-1*t17*t23*t28*t30*t62+1.329807601338106d-1*t115*t17*t18
1163 1 t16*t17*t42*t51*t80*t88+7.092307207136567d-1*t16*t17*t44*
1165 3 2676212d-1*t17*t42*t51*t80*t87-5.319230405352424d-1*t17*t
[all …]
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| H A D | nwxcm_c_perdew86.F | 169 t17 = 1/t16
449 3 4d-4*t14*t17*t3*t30*wght+7.937005259840999d-1*t12*t17*t30
451 5 005259840999d-1*t17*t27*wght)-2.5d-1*t12*t17*t20*t6*t8*wg
462 2 gammaaa*t17*t27*wght)-1.0d+0*gammaaa*t12*t17*t20*t6*t8*wg
478 4 997d+0*t12*t17*t30*wght-5.748129360574893d-4*t13*t14*t17*
480 6 2*t17*t20*t6*t8*wght+1.2070315298178438d-4*t1*t16*t17*t3*
1006 1 ammaaa*t12*t17*t49*wght+3.1748021039363994d+0*gammaaa*t17
1023 1 ammaaa*t12*t17*t59*wght-2.8740646802874464d-4*t14*t17*t3*
1026 4 t17*t27*wght)-2.5d-1*t12*t17*t20*t6*t8*wght+6.03515764908
1027 5 9219d-5*t1*t16*t17*t3*t57*wght+7.185161700718616d-5*t17*t
[all …]
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| H A D | nwxcm_x_wpbe.F | 331 t17 = t4**9
929 3 5+t16*t17*t25-gammaaa*t154*t16*t17*t231)-5.0d-1*t181*t233
946 4 *t17*t231*t50+3.2910615692041123d-2*gammaaa*t16*t17*t170*
1186 < 6*t17*t83+t16*t17*t25+gammaaa*t118*t16*t25)-5.0d-1*t110*t
1406 < 6*t17*t83+t16*t17*t25+gammabb*t118*t16*t25)-5.0d-1*t110*t
2895 4 *t16*t17*t337*t338+6.780349745185891d-1*gammaaa*t17*t25*t
3108 2 16*t163*t17*t477+1.386889720606205d-1*gammaaa*t16*t17*t33
3173 5 6*t163*t17*t345+2*gammaaa*t16*t17*t337*t338+9.77777777777
3362 8 62*t163*t17*t61*t65-1.6455307846020562d-2*gammaaa*t16*t17
3381 ; t163*t17*t193*t194*t270*t61-1.6455307846020562d-2*t16*t17
[all …]
|
| H A D | nwxcm_x_sogga.F | 224 5 mmaaa*t17*t25*t42-4.9070519014451675d-2*gammaaa*t17*t23*t
243 4 419378d-2*t17*t23*t24+1.4721155704335503d-2*t17*t21*t22+1
687 2 78d-2*t17*t23*t24+1.4721155704335503d-2*t17*t21*t22+1.104
688 3 0866778251626d-2*t17*t19*t20+7.360577852167751d-3*t16*t17
714 2 53d-5*t17*t25*t52*t54-4.815831672695327d-4*t17*t23*t24*t5
759 > *t17*t21*t22*t64+1.0835621263564485d-4*gammaaa*t17*t19*t2
763 2 0335d-3*t17*t25*t43-4.9070519014451675d-2*t17*t23*t24*t43
765 4 -2*t17*t19*t20*t43-1.962820760578067d-2*t16*t17*t18*t43)-
771 : 4335503d-2*t17*t21*t22*t5+1.1040866778251626d-2*t17*t19*t
814 7 289727805d-5*t17*t23*t24*t5-5.417810631782243d-5*t17*t21*
[all …]
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| H A D | nwxcm_x_pw6.F | 228 1 ammaaa*t15*t16*t17/t5**1.6d+1+t14*t15*t17)-1.0d+0*t18*t32
513 7 t23)+2.0d+0*t17*t25*t35*t36*t5-1.3333333333333333d+0*t17*
606 1 15*t17
699 6 aaa*t15*t16*t17*t36*t45-2.6666666666666666d+0*t15*t17*t35
774 1 15*t17
873 1 15*t17
1200 7 39*t68+1.4814814814814814d+0*t12*t17*t26*t67-6.0d+0*t17*t
1208 ? 6*t38+8.888888888888888d-1*t12*t17*t38+8.0d+0*t17*t23*t26
1247 8 t23*t28)-6.0d+0*t17*t25*t5*t61*t66+t36*(2.0d+0*t17*t25*t5
1350 1 15*t17
[all …]
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| H A D | nwxcm_x_pw91.F | 151 6 3333d+0*t12*t16*t17*t18-1.2407009817987999d+0*t17*t18)*wg
511 ? 878658666d-1*t17*t35+2.6666666666666666d+0*t12*t17*t18*t2
679 ? 1-1.3333333333333333d+0*t17*t31*t41)+2.0d+0*t17*t3*t41*t7
823 ? 6-1.3333333333333333d+0*t17*t18*t28)+2.0d+0*t17*t28*t3*t4
922 ? 6-1.3333333333333333d+0*t17*t18*t28)+2.0d+0*t17*t28*t3*t4
1213 8 0*t12*t16*t17*t64-1.378556646443111d+0*t17*t64+t38*(-2*t2
1220 ? 66666d+0*t12*t17*t28*t35+2.6666666666666666d+0*t16*t17*t1
1242 2 *t17*t25*t32)+2.6666666666666666d+0*t12*t17*t18*t52+5.333
1258 7 3d+0*t16*t17*t62-2.6666666666666666d+0*t17*t32*t34)+1.0d+
1262 ; 6666d+0*t16*t17*t18*t38*t59+1.3333333333333333d+0*t12*t17
[all …]
|
| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
| H A D | i3300.cc | 20 double t17; in i3300() local
85 t17=t9*t13; in i3300()
86 t9=t17+t15; in i3300()
92 t17=t10*t5; in i3300()
105 t12=t1*t17; in i3300()
112 t5=t7*t17; in i3300()
119 t17=t12+t5; in i3300()
120 t5=t4*t17; in i3300()
131 t5=t10*t17; in i3300()
135 t5=t1*t17; in i3300()
[all …]
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| H A D | i2201AB.cc | 20 double t17; in i2201eAB() local
80 t17=t16+t15; in i2201eAB()
85 t14=t5+t17; in i2201eAB()
87 t17=t1*t5; in i2201eAB()
88 t18=t17+t16; in i2201eAB()
103 t20=t17+t23; in i2201eAB()
104 t17=t1*t20; in i2201eAB()
105 t23=t1*t17; in i2201eAB()
114 t26=t23*t17; in i2201eAB()
121 t5=t28*t17; in i2201eAB()
[all …]
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| H A D | i2300.cc | 20 double t17; in i2300() local
89 t17=t13*t9; in i2300()
90 t9=t17+t15; in i2300()
96 t17=t10*t5; in i2300()
110 t12=t1*t17; in i2300()
118 t5=t7*t17; in i2300()
125 t17=t12+t5; in i2300()
126 t5=t4*t17; in i2300()
137 t5=t10*t17; in i2300()
141 t5=t1*t17; in i2300()
[all …]
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| H A D | i0300.cc | 20 double t17; in i0300() local
93 t17=t13*t9; in i0300()
94 t9=t17+t15; in i0300()
100 t17=t10*t5; in i0300()
114 t12=t1*t17; in i0300()
122 t5=t7*t17; in i0300()
129 t17=t12+t5; in i0300()
130 t5=t4*t17; in i0300()
142 t5=t10*t17; in i0300()
146 t5=t1*t17; in i0300()
[all …]
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| H A D | i1300.cc | 20 double t17; in i1300() local
93 t17=t13*t9; in i1300()
94 t9=t17+t15; in i1300()
100 t17=t10*t5; in i1300()
114 t12=t1*t17; in i1300()
122 t5=t7*t17; in i1300()
129 t17=t12+t5; in i1300()
130 t5=t4*t17; in i1300()
142 t5=t10*t17; in i1300()
146 t5=t1*t17; in i1300()
[all …]
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| H A D | i0301.cc | 20 double t17; in i0301() local
118 t17=t16+t12; in i0301()
119 t12=t5*t17; in i0301()
128 t20=t2*t17; in i0301()
428 t19=t66*t17; in i0301()
563 t17=t1*t30; in i0301()
604 t10=t1*t17; in i0301()
671 t3=t28*t17; in i0301()
699 t3=t14*t17; in i0301()
733 t23=t17+t2; in i0301()
[all …]
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| H A D | i1301.cc | 20 double t17; in i1301() local
118 t17=t16+t12; in i1301()
119 t12=t5*t17; in i1301()
128 t20=t2*t17; in i1301()
423 t19=t66*t17; in i1301()
558 t17=t1*t30; in i1301()
599 t10=t1*t17; in i1301()
666 t3=t28*t17; in i1301()
694 t3=t14*t17; in i1301()
728 t23=t17+t2; in i1301()
[all …]
|
| /dports/science/gabedit/GabeditSrc251_300720/src/Utils/ |
| H A D | Transformation.c | 385 gdouble t4,t6,t8,t10,t12,t14,t17; in Inverse3() local
403 invmat[1][1] = (mat[0][0]*mat[2][2]-t14)*t17; in Inverse3()
404 invmat[1][2] = -(t6-t10)*t17; in Inverse3()
406 invmat[2][1] = -(mat[0][0]*mat[2][1]-t12)*t17; in Inverse3()
407 invmat[2][2] = (t4-t8)*t17; in Inverse3()
414 gdouble t4,t6,t8,t10,t12,t14,t17; in InverseMat3D() local
423 if(fabs(t17)<1e-12) return FALSE; in InverseMat3D()
425 t17 = 1/t17; in InverseMat3D()
430 invmat[1][1] = (mat[0][0]*mat[2][2]-t14)*t17; in InverseMat3D()
431 invmat[1][2] = -(t6-t10)*t17; in InverseMat3D()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_1d_loos.c | 69 t18 = t17 * t17; in func_unpol()
90 t58 = t5 * t17; in func_unpol()
109 t106 = t14 * t17; in func_unpol()
139 t224 = t192 * t17; in func_unpol()
164 t325 = t247 * t17; in func_unpol()
166 t339 = t307 * t17; in func_unpol()
243 t18 = t17 * t17; in func_ferr()
264 t58 = t5 * t17; in func_ferr()
283 t106 = t14 * t17; in func_ferr()
313 t224 = t192 * t17; in func_ferr()
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