| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
| H A D | fun-b97-d.c | 359 t75 = log(t74); in b97_d_first()
390 t75; in b97_d_first()
1494 t70*t74*t75*t165*t97*t98*t99-.5848223397455204*t70*t74*t75* in b97_d_third()
1888 t70*t74*t75*t397*t82+.05925536910769562*t70*t116*t75*t241* in b97_d_third()
1899 t70*t116*t75*t79*t97*t98*t99-3.508934038473122*t70*t74*t75* in b97_d_third()
1960 t70*t74*t75*t422*t82+.03950357940513041*t70*t116*t75*t271* in b97_d_third()
1974 t75*t79*t218*t219*t220-17.31575589937587*t70*t74*t75*t165* in b97_d_third()
2035 t70*t74*t75*t435*t82+.01975178970256521*t70*t116*t75*t304* in b97_d_third()
2037 t70*t167*t75*t271*t82+.03950357940513041*t70*t272*t75*t165* in b97_d_third()
3304 t75*t79*t218*t219*t220-34.63151179875173*t70*t74*t75*t165* in b97_d_fourth()
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_vwn2.F | 1116 4 *t49*t75)+2.722148880047894d-2*t114*t29*t75+9.59024780910
1213 3 t41*t43*t75*t94*t97+1.670598608157995d-2*t162*t42*t75*t97
1235 9 *t49*t75-8.352993040789976d-3*t102*t162*t49*t75+5.0117958
1273 3 d-2*t41*t43*t75*t94*t97-1.670598608157995d-2*t162*t42*t75
2466 4 *t49*t75)+2.722148880047894d-2*t114*t29*t75+9.59024780910
2577 6 *t58*t60*t75*t89*t92+8.352993040789976d-3*t162*t59*t75*t9
2588 1 59*t75-2.5058979122369923d-2*t190*t49*t75-8.3529930407899
2589 2 76d-3*t102*t162*t49*t75+5.011795824473985d-2*t184*t42*t75
2628 3 43*t75*t94*t97-1.670598608157995d-2*t162*t42*t75*t97-4.43
2636 ; 02*t162*t49*t75-5.011795824473985d-2*t184*t42*t75+7.00278
[all …]
|
| H A D | nwxcm_c_b97.F | 556 8 7*t75*t76+2.4000000000000002d-5*gammaaa*t117*t71*t74*t75-
575 3 8)+t114*(3.0d-3*t4*t75*t76-9.0d-6*t4*t71*t74*t75+1.8d-5*t
582 3 /rhob**8)+t114*(3.0d-3*t38*t75*t76-9.0d-6*t38*t71*t74*t75
1480 t219 = 3.0d-3*t4*t75*t76-9.0d-6*t4*t71*t74*t75+1.8d-5*t4*t70
1486 t222 = 3.0d-3*t38*t75*t76-9.0d-6*t38*t71*t74*t75+1.8d-5*t38*
1667 = 26*t71*t74*t75-1.28d-4*t225*t3*t74*t75+3.84d-7*t182*t225*
1700 = bb*t272*t71*t74*t75-1.28d-4*t271*t37*t74*t75+3.84d-7*t182
1713 6 t74*t75+4.8000000000000004d-5*gammaaa*t118*t74*t75-1.4400
1740 6 *t71*t74*t75+4.8000000000000004d-5*gammabb*t187*t74*t75-1
1757 1 t75-2.16d-7*t70*t71)+t38*t4*t74*(1.8d-5*t70-1.8d-5*t75)+4
[all …]
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| H A D | nwxcm_x_tpss03.F | 1578 4 4d-1*t23*t75-1.802469135802469d-1*t17*t75+4.50617283950
2291 1 d-1*t37*t75-1.802469135802469d-1*t31*t75+1.645530784602
2597 1 d-1*t37*t75-1.802469135802469d-1*t31*t75+1.645530784602
2744 6 t67*t75*t76+1.4419753086419754d-1*t75**2+3.291061569204
3125 4 4d-1*t23*t75-1.802469135802469d-1*t17*t75+4.50617283950
3352 4 4d-1*t23*t75-1.802469135802469d-1*t17*t75+4.50617283950
3721 4 4d-1*t23*t75-1.802469135802469d-1*t17*t75+4.50617283950
4018 4 4d-1*t23*t75-1.802469135802469d-1*t17*t75+4.50617283950
6307 1 d-1*t37*t75-1.802469135802469d-1*t31*t75+1.645530784602
6726 9 2469d-1*t131*t56*t75+2.883950617283951d-1*t130*t75-8.77
[all …]
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| H A D | nwxcm_x_m06.F | 1079 1 *t50*t54*t75+2.0d+0*gammaaa*t50*t51*t75-7.46904d-3*t47*t4
1200 1 *t75*taua+1.24484d-2*t50*t55*t75*taua-1.3333333333333333d
1204 5 gammaaa*t54*t65*t66*t75-4.0d+0*gammaaa*t51*t65*t66*t75+5.
1234 4 99999998d-2*t44*t52*t66*t75-7.46904d-3*t44*t51*t66*t75-3.
1235 5 73452d-3*t50*t55*t75-3.73452d-3*t50*t54*t75+2.0d+0*t50*t5
1480 4 -1.4d+1*t23*t77*t78-1.4d+1*t23*t75*t76-1.6d+1*t20*t75*t76
1639 ; 63*t75*t78-2.2620076536473846d+4*t23*t63*t75*t78+1.292575
1641 = 23*t75*t76+8.102755328614393d+1*t140*t20*t75*t76+1.292575
1783 7 7d+3*t111*t26*t75*t78-1.7015786190090226d+3*t111*t20*t75*
1855 > .68d+2*t23*t77*t80+1.68d+2*t26*t75*t78+3.92d+2*t23*t75*t7
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_vwn2.F | 1116 4 *t49*t75)+2.722148880047894d-2*t114*t29*t75+9.59024780910
1213 3 t41*t43*t75*t94*t97+1.670598608157995d-2*t162*t42*t75*t97
1235 9 *t49*t75-8.352993040789976d-3*t102*t162*t49*t75+5.0117958
1273 3 d-2*t41*t43*t75*t94*t97-1.670598608157995d-2*t162*t42*t75
2466 4 *t49*t75)+2.722148880047894d-2*t114*t29*t75+9.59024780910
2577 6 *t58*t60*t75*t89*t92+8.352993040789976d-3*t162*t59*t75*t9
2588 1 59*t75-2.5058979122369923d-2*t190*t49*t75-8.3529930407899
2589 2 76d-3*t102*t162*t49*t75+5.011795824473985d-2*t184*t42*t75
2628 3 43*t75*t94*t97-1.670598608157995d-2*t162*t42*t75*t97-4.43
2636 ; 02*t162*t49*t75-5.011795824473985d-2*t184*t42*t75+7.00278
[all …]
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| H A D | nwxcm_c_b97.F | 556 8 7*t75*t76+2.4000000000000002d-5*gammaaa*t117*t71*t74*t75-
575 3 8)+t114*(3.0d-3*t4*t75*t76-9.0d-6*t4*t71*t74*t75+1.8d-5*t
582 3 /rhob**8)+t114*(3.0d-3*t38*t75*t76-9.0d-6*t38*t71*t74*t75
1480 t219 = 3.0d-3*t4*t75*t76-9.0d-6*t4*t71*t74*t75+1.8d-5*t4*t70
1486 t222 = 3.0d-3*t38*t75*t76-9.0d-6*t38*t71*t74*t75+1.8d-5*t38*
1667 = 26*t71*t74*t75-1.28d-4*t225*t3*t74*t75+3.84d-7*t182*t225*
1700 = bb*t272*t71*t74*t75-1.28d-4*t271*t37*t74*t75+3.84d-7*t182
1713 6 t74*t75+4.8000000000000004d-5*gammaaa*t118*t74*t75-1.4400
1740 6 *t71*t74*t75+4.8000000000000004d-5*gammabb*t187*t74*t75-1
1757 1 t75-2.16d-7*t70*t71)+t38*t4*t74*(1.8d-5*t70-1.8d-5*t75)+4
[all …]
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| H A D | nwxcm_x_tpss03.F | 1578 4 4d-1*t23*t75-1.802469135802469d-1*t17*t75+4.50617283950
2291 1 d-1*t37*t75-1.802469135802469d-1*t31*t75+1.645530784602
2597 1 d-1*t37*t75-1.802469135802469d-1*t31*t75+1.645530784602
2744 6 t67*t75*t76+1.4419753086419754d-1*t75**2+3.291061569204
3125 4 4d-1*t23*t75-1.802469135802469d-1*t17*t75+4.50617283950
3352 4 4d-1*t23*t75-1.802469135802469d-1*t17*t75+4.50617283950
3721 4 4d-1*t23*t75-1.802469135802469d-1*t17*t75+4.50617283950
4018 4 4d-1*t23*t75-1.802469135802469d-1*t17*t75+4.50617283950
6307 1 d-1*t37*t75-1.802469135802469d-1*t31*t75+1.645530784602
6726 9 2469d-1*t131*t56*t75+2.883950617283951d-1*t130*t75-8.77
[all …]
|
| H A D | nwxcm_x_m06.F | 1079 1 *t50*t54*t75+2.0d+0*gammaaa*t50*t51*t75-7.46904d-3*t47*t4
1200 1 *t75*taua+1.24484d-2*t50*t55*t75*taua-1.3333333333333333d
1204 5 gammaaa*t54*t65*t66*t75-4.0d+0*gammaaa*t51*t65*t66*t75+5.
1234 4 99999998d-2*t44*t52*t66*t75-7.46904d-3*t44*t51*t66*t75-3.
1235 5 73452d-3*t50*t55*t75-3.73452d-3*t50*t54*t75+2.0d+0*t50*t5
1480 4 -1.4d+1*t23*t77*t78-1.4d+1*t23*t75*t76-1.6d+1*t20*t75*t76
1639 ; 63*t75*t78-2.2620076536473846d+4*t23*t63*t75*t78+1.292575
1641 = 23*t75*t76+8.102755328614393d+1*t140*t20*t75*t76+1.292575
1783 7 7d+3*t111*t26*t75*t78-1.7015786190090226d+3*t111*t20*t75*
1855 > .68d+2*t23*t77*t80+1.68d+2*t26*t75*t78+3.92d+2*t23*t75*t7
[all …]
|
| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
| H A D | i1312AB.cc | 78 double t75; in i1312eAB() local
344 t75=t53*t9; in i1312eAB()
346 t77=t76+t75; in i1312eAB()
347 t75=t1*t77; in i1312eAB()
348 t76=t75+t71; in i1312eAB()
350 t75=t12*t76; in i1312eAB()
351 t78=t75+t74; in i1312eAB()
353 t75=t6*t73; in i1312eAB()
354 t79=t75+t74; in i1312eAB()
837 t75=t80+t46; in i1312eAB()
[all …]
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| H A D | i2312AB.cc | 78 double t75; in i2312eAB() local
339 t75=t53*t9; in i2312eAB()
341 t77=t76+t75; in i2312eAB()
342 t75=t1*t77; in i2312eAB()
343 t76=t75+t71; in i2312eAB()
344 t75=t12*t76; in i2312eAB()
345 t78=t75+t74; in i2312eAB()
347 t75=t6*t73; in i2312eAB()
348 t79=t75+t74; in i2312eAB()
816 t75=t80+t46; in i2312eAB()
[all …]
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| H A D | i0312AB.cc | 78 double t75; in i0312eAB() local
344 t75=t53*t9; in i0312eAB()
346 t77=t76+t75; in i0312eAB()
347 t75=t1*t77; in i0312eAB()
348 t76=t75+t71; in i0312eAB()
350 t75=t12*t76; in i0312eAB()
351 t78=t75+t74; in i0312eAB()
353 t75=t6*t73; in i0312eAB()
354 t79=t75+t74; in i0312eAB()
837 t75=t80+t46; in i0312eAB()
[all …]
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| H A D | i1322AB.cc | 78 double t75; in i1322eAB() local
310 t75=t60*t12; in i1322eAB()
311 t76=t75+t74; in i1322eAB()
313 t75=t74+t70; in i1322eAB()
315 t74=t11*t75; in i1322eAB()
473 t75=t118+t50; in i1322eAB()
479 t121=t4+t75; in i1322eAB()
573 t75=t11*t73; in i1322eAB()
574 t73=t75+t24; in i1322eAB()
584 t75=t73+t20; in i1322eAB()
[all …]
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| H A D | i2322AB.cc | 78 double t75; in i2322eAB() local
305 t75=t60*t12; in i2322eAB()
306 t76=t75+t74; in i2322eAB()
308 t75=t74+t70; in i2322eAB()
309 t74=t11*t75; in i2322eAB()
464 t75=t118+t50; in i2322eAB()
470 t121=t4+t75; in i2322eAB()
563 t75=t11*t73; in i2322eAB()
564 t73=t75+t24; in i2322eAB()
574 t75=t73+t20; in i2322eAB()
[all …]
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| H A D | i1302AB.cc | 78 double t75; in i1302eAB() local
357 t75=t53*t9; in i1302eAB()
359 t77=t76+t75; in i1302eAB()
360 t75=t1*t77; in i1302eAB()
361 t76=t75+t71; in i1302eAB()
363 t75=t12*t76; in i1302eAB()
364 t78=t75+t74; in i1302eAB()
366 t75=t6*t73; in i1302eAB()
367 t79=t75+t74; in i1302eAB()
850 t75=t80+t46; in i1302eAB()
[all …]
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| H A D | i0302AB.cc | 78 double t75; in i0302eAB() local
357 t75=t53*t9; in i0302eAB()
359 t77=t76+t75; in i0302eAB()
360 t75=t1*t77; in i0302eAB()
361 t76=t75+t71; in i0302eAB()
363 t75=t12*t76; in i0302eAB()
364 t78=t75+t74; in i0302eAB()
366 t75=t6*t73; in i0302eAB()
367 t79=t75+t74; in i0302eAB()
850 t75=t80+t46; in i0302eAB()
[all …]
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| H A D | i2302AB.cc | 78 double t75; in i2302eAB() local
352 t75=t53*t9; in i2302eAB()
354 t77=t76+t75; in i2302eAB()
355 t75=t1*t77; in i2302eAB()
356 t76=t75+t71; in i2302eAB()
357 t75=t12*t76; in i2302eAB()
358 t78=t75+t74; in i2302eAB()
360 t75=t6*t73; in i2302eAB()
361 t79=t75+t74; in i2302eAB()
829 t75=t80+t46; in i2302eAB()
[all …]
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| H A D | i0322AB.cc | 78 double t75; in i0322eAB() local
310 t75=t60*t12; in i0322eAB()
311 t76=t75+t74; in i0322eAB()
313 t75=t74+t70; in i0322eAB()
315 t74=t11*t75; in i0322eAB()
473 t75=t118+t50; in i0322eAB()
479 t121=t4+t75; in i0322eAB()
573 t75=t11*t73; in i0322eAB()
574 t73=t75+t24; in i0322eAB()
584 t75=t73+t20; in i0322eAB()
[all …]
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| H A D | i3302AB.cc | 78 double t75; in i3302eAB() local
305 t75=t72+t71; in i3302eAB()
320 t78=t33+t75; in i3302eAB()
323 t75=t23+t33; in i3302eAB()
325 t82=t33+t75; in i3302eAB()
327 t75=t19*t33; in i3302eAB()
334 t86=t84+t75; in i3302eAB()
335 t75=t6*t82; in i3302eAB()
337 t87=t84+t75; in i3302eAB()
625 t73=t75+t28; in i3302eAB()
[all …]
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| H A D | i2301.cc | 78 double t75; in i2301() local
341 t75=t63*t52; in i2301()
342 t76=t75+t74; in i2301()
344 t75=t74+t73; in i2301()
350 t74=t73+t75; in i2301()
354 t75=t31+t73; in i2301()
355 t31=t54*t75; in i2301()
392 t16=t59*t75; in i2301()
505 t76=t75+t70; in i2301()
508 t17=t3*t75; in i2301()
[all …]
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| H A D | i3312AB.cc | 78 double t75; in i3312eAB() local
305 t75=t72+t71; in i3312eAB()
320 t78=t33+t75; in i3312eAB()
323 t75=t23+t33; in i3312eAB()
325 t82=t33+t75; in i3312eAB()
327 t75=t19*t33; in i3312eAB()
334 t86=t84+t75; in i3312eAB()
335 t75=t6*t82; in i3312eAB()
337 t87=t84+t75; in i3312eAB()
625 t73=t75+t28; in i3312eAB()
[all …]
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| H A D | i3333AB.cc | 78 double t75; in i3333eAB() local
403 t75=t74+t73; in i3333eAB()
404 t73=t12*t75; in i3333eAB()
420 t79=t9*t75; in i3333eAB()
554 t135=t39*t75; in i3333eAB()
561 t130=t3*t75; in i3333eAB()
1141 t51=t1*t75; in i3333eAB()
1242 t74=t27*t75; in i3333eAB()
1243 t75=t74+t71; in i3333eAB()
1261 t75=t6*t63; in i3333eAB()
[all …]
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_k_tf.c | 205 double t69, t71, t74, t75, t78, t81, t86, t88; in func_pol() local
302 t75 = t37 * t37; in func_pol()
304 …t81 = 0.5e1 / 0.9e1 * t63 * t64 + 0.5e1 / 0.6e1 * t7 * t71 + 0.5e1 / 0.9e1 * t74 * t75 + 0.5e1 / 0… in func_pol()
345 t152 = t75 * t37; in func_pol()
359 … + 0.5e1 / 0.3e1 * t7 * t68 - 0.5e1 * t93 * t144 - 0.5e1 / 0.27e2 * t187 * t75 - 0.20e2 / 0.9e1 * … in func_pol()
400 t297 = t75 * t75; in func_pol()
403 ….6e1 * t7 * t291 + 0.20e2 / 0.81e2 * t296 * t297 - 0.10e2 / 0.9e1 * t151 * t75 * t78 + 0.5e1 / 0.3… in func_pol()
411 …52 - 0.5e1 / 0.9e1 * t187 * t37 * t78 + 0.10e2 / 0.9e1 * t151 * t1 * t68 * t75 - 0.10e2 / 0.3e1 * … in func_pol()
419 …t75 + 0.40e2 / 0.27e2 * t187 * t37 * t1 * t68 - 0.5e1 / 0.27e2 * t222 * t78 + 0.40e2 / 0.9e1 * t74… in func_pol()
|
| H A D | lda_c_chachiyo_mod.c | 269 double t73, t74, t75, t76, t77, t78, t79, t81; in func_pol() local
380 t75 = 0.1e1 / t40; in func_pol()
387 t85 = t75 * t79 / 0.3e1 + t81 * t82 / 0.3e1; in func_pol()
395 t95 = t75 * t90 / 0.3e1 + t81 * t92 / 0.3e1; in func_pol()
440 t160 = -t141 * t142 / 0.9e1 + t75 * t149 / 0.3e1 - t153 * t154 / 0.9e1 + t81 * t157 / 0.3e1; in func_pol()
450 t174 = t75 * t36; in func_pol()
466 t206 = -t141 * t193 / 0.9e1 + t75 * t197 / 0.3e1 - t153 * t200 / 0.9e1 + t81 * t203 / 0.3e1; in func_pol()
520 …t299 = 0.4e1 / 0.27e2 * t273 * t274 - t277 * t149 / 0.3e1 + t75 * t284 / 0.3e1 + 0.4e1 / 0.27e2 * … in func_pol()
543 … 0.4e1 / 0.9e1 * t328 * t146 * t79 - t171 * t149 / 0.9e1 + 0.2e1 / 0.3e1 * t75 * t146 - 0.2e1 * t1… in func_pol()
563 …t396 = 0.4e1 / 0.27e2 * t372 * t79 - 0.4e1 / 0.9e1 * t171 * t147 - t377 * t79 / 0.9e1 + t75 * t382… in func_pol()
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_herman.c | 434 t75 = t35 * t16; in func_pol()
551 t215 = t75 * t214; in func_pol()
572 t240 = t75 * t239; in func_pol()
719 t403 = t75 * t402; in func_pol()
770 t503 = t75 * t502; in func_pol()
807 t588 = t75 * t587; in func_pol()
813 t597 = t75 * t596; in func_pol()
858 t655 = t75 * t267; in func_pol()
875 t679 = t75 * t273; in func_pol()
1156 t1669 = t75 * t663; in func_pol()
[all …]
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