| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_spbe.F | 1070 t182 = t116**2
1862 t116 = 3.2713636276071156d-3*t16*t17*t65
1883 1 2+t122+t118+t117+t116+t115+t113+t111
1906 1 52+t122+t118+t117+t116+t115+t113+t111
2442 t215 = t116**2
2448 2 065748896d+2*t106*t115*t116
2732 t352 = t116**3
3183 3 t116*t184*t43*t48*t53-6.674328653981203d+0*t116*t120*t182
3198 2 345d+2*t106*t116*t214)*t49+8.172647331405554d-1*t105*t116
3556 t116 = t49**3
[all …]
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| H A D | nwxcm_x_m11.F | 717 t116 = 1/t107**7
902 < 100*t116*t117*t85+1.0634866368806391d+2*t100*t116*t117*t8
985 > t119*t85-1.2d+1*t116*t117*t85-1.4d+1*t116*t117*t84-1.4d+1
3013 ? 912537593d+1*t116*t117*t72*t98+8.102755328614393d+1*t116*
5231 t116 = 1/t2**3
5799 ; t116*t130*t133-8.985334888756153d-3*t116*t127*t132)*wght+
5814 9 d-4*t116*t12*t132*t49-8.985334888756153d-3*t116*t135*t137
9516 ; t116*t130*t133-8.985334888756153d-3*t116*t127*t132)*wght+
9527 9 d-4*t116*t12*t132*t49-8.985334888756153d-3*t116*t135*t137
10833 ; t116*t130*t133-8.985334888756153d-3*t116*t127*t132)*wght+
[all …]
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| H A D | nwxcm_x_wpbe.F | 473 t122 = t116*t30-1.282782438530422d-1*t1*t116*t29*t3
516 = 16)-8.400000000000001d+0*t106*t116*t67-2.7259596d+0*t116*
4122 ; 4+t200)*t25*t61-2*t108*t115*t116*t61+2*t115*t116*t117*t11
4219 1 6*t139*t61+t115*t116*t118*t155*t59+5.0d-1*t109*t116*t117*
4300 : -5.0d-1*t109*t116*t243*t59*t61+2.5d-1*t116*t209*t239*t59*
4306 @ 9*t16*t25*t61-t109*t116*t239*t61+t109*t116*t118*t139*t155
4765 ; 4+t200)*t25*t61-2*t108*t115*t116*t61+2*t115*t116*t117*t11
4862 1 6*t139*t61+t115*t116*t118*t155*t59+5.0d-1*t109*t116*t117*
4943 : -5.0d-1*t109*t116*t243*t59*t61+2.5d-1*t116*t209*t239*t59*
4949 @ 9*t16*t25*t61-t109*t116*t239*t61+t109*t116*t118*t139*t155
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_spbe.F | 1070 t182 = t116**2
1862 t116 = 3.2713636276071156d-3*t16*t17*t65
1883 1 2+t122+t118+t117+t116+t115+t113+t111
1906 1 52+t122+t118+t117+t116+t115+t113+t111
2442 t215 = t116**2
2448 2 065748896d+2*t106*t115*t116
2732 t352 = t116**3
3183 3 t116*t184*t43*t48*t53-6.674328653981203d+0*t116*t120*t182
3198 2 345d+2*t106*t116*t214)*t49+8.172647331405554d-1*t105*t116
3556 t116 = t49**3
[all …]
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| H A D | nwxcm_x_m11.F | 717 t116 = 1/t107**7
902 < 100*t116*t117*t85+1.0634866368806391d+2*t100*t116*t117*t8
985 > t119*t85-1.2d+1*t116*t117*t85-1.4d+1*t116*t117*t84-1.4d+1
3013 ? 912537593d+1*t116*t117*t72*t98+8.102755328614393d+1*t116*
5231 t116 = 1/t2**3
5799 ; t116*t130*t133-8.985334888756153d-3*t116*t127*t132)*wght+
5814 9 d-4*t116*t12*t132*t49-8.985334888756153d-3*t116*t135*t137
9516 ; t116*t130*t133-8.985334888756153d-3*t116*t127*t132)*wght+
9527 9 d-4*t116*t12*t132*t49-8.985334888756153d-3*t116*t135*t137
10833 ; t116*t130*t133-8.985334888756153d-3*t116*t127*t132)*wght+
[all …]
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| H A D | nwxcm_x_wpbe.F | 473 t122 = t116*t30-1.282782438530422d-1*t1*t116*t29*t3
516 = 16)-8.400000000000001d+0*t106*t116*t67-2.7259596d+0*t116*
4122 ; 4+t200)*t25*t61-2*t108*t115*t116*t61+2*t115*t116*t117*t11
4219 1 6*t139*t61+t115*t116*t118*t155*t59+5.0d-1*t109*t116*t117*
4300 : -5.0d-1*t109*t116*t243*t59*t61+2.5d-1*t116*t209*t239*t59*
4306 @ 9*t16*t25*t61-t109*t116*t239*t61+t109*t116*t118*t139*t155
4765 ; 4+t200)*t25*t61-2*t108*t115*t116*t61+2*t115*t116*t117*t11
4862 1 6*t139*t61+t115*t116*t118*t155*t59+5.0d-1*t109*t116*t117*
4943 : -5.0d-1*t109*t116*t243*t59*t61+2.5d-1*t116*t209*t239*t59*
4949 @ 9*t16*t25*t61-t109*t116*t239*t61+t109*t116*t118*t139*t155
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_ev93.c | 164 t116 = t115 * t37; in func_unpol()
1094 t116 = t16 * t55; in func_pol()
1100 t124 = t115 * t116 * t122; in func_pol()
1126 t167 = t155 * t116 * t165; in func_pol()
1143 t187 = t115 * t116 * t185; in func_pol()
1182 t256 = t155 * t116 * t254; in func_pol()
1214 t296 = t292 * t116 * t294; in func_pol()
1223 t308 = t115 * t116 * t306; in func_pol()
1229 t315 = t115 * t116 * t313; in func_pol()
1254 t358 = t155 * t116 * t356; in func_pol()
[all …]
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| H A D | gga_k_tflw.c | 492 t116 = t6 * t115; in func_pol()
494 t119 = t116 * t56 * t117; in func_pol()
541 t174 = t116 * t56 * t172; in func_pol()
564 t215 = t116 * t56 * t213; in func_pol()
683 t331 = t116 * t121 * t117; in func_pol()
685 t335 = t116 * t56 * t333; in func_pol()
719 t389 = t116 * t121 * t172; in func_pol()
722 t393 = t116 * t184 * t391; in func_pol()
728 t404 = t116 * t56 * t402; in func_pol()
771 t484 = t116 * t56 * t482; in func_pol()
[all …]
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| H A D | gga_k_dk.c | 1066 t116 = t6 * t14; in func_pol()
1072 t124 = t116 * t50 * t122; in func_pol()
1109 t186 = t116 * t50 * t184; in func_pol()
1182 t306 = t116 * t127 * t122; in func_pol()
1195 t322 = t116 * t50 * t320; in func_pol()
1290 t476 = t116 * t50 * t474; in func_pol()
1515 t820 = t116 * t50 * t818; in func_pol()
1666 t1060 = t116 * t899; in func_pol()
2380 t2179 = t116 * t2178; in func_pol()
2443 t2424 = t116 * t2423; in func_pol()
[all …]
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| H A D | gga_x_rge2.c | 686 t116 = -t85; in func_pol()
687 t117 = t74 * t116; in func_pol()
784 t249 = t116 * t116; in func_pol()
815 t295 = t133 * t116; in func_pol()
824 t311 = t152 * t116; in func_pol()
885 t402 = t179 * t116; in func_pol()
961 t485 = t116 * t258; in func_pol()
988 t523 = t249 * t116; in func_pol()
1052 t627 = t8 * t116; in func_pol()
1102 t735 = t332 * t116; in func_pol()
[all …]
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| H A D | gga_k_mpbe.c | 881 t116 = t17 * t65; in func_pol()
886 t123 = t115 * t116 * t121; in func_pol()
927 t194 = t115 * t116 * t192; in func_pol()
991 t318 = t315 * t116 * t316; in func_pol()
1002 t332 = t115 * t116 * t330; in func_pol()
1051 t425 = t315 * t116 * t423; in func_pol()
1070 t465 = t315 * t116 * t463; in func_pol()
1074 t470 = t115 * t116 * t468; in func_pol()
1188 t732 = t729 * t116 * t730; in func_pol()
1192 t739 = t315 * t116 * t737; in func_pol()
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_ml1.c | 798 t116 = t20 * t35; in func_pol()
815 t140 = t139 * t116; in func_pol()
886 t290 = t116 * t277; in func_pol()
1048 t648 = t116 * t647; in func_pol()
1051 t652 = t116 * t651; in func_pol()
1054 t656 = t116 * t655; in func_pol()
1056 t659 = t116 * t598; in func_pol()
1119 t870 = t116 * t869; in func_pol()
1343 t1434 = t116 * t1433; in func_pol()
1345 t1438 = t116 * t1437; in func_pol()
[all …]
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| H A D | lda_c_hl.c | 339 double t107, t112, t113, t114, t116, t120, t121, t122; in func_pol() local
457 t116 = -t114; in func_pol()
458 t120 = (0.4e1 / 0.3e1 * t49 * t114 + 0.4e1 / 0.3e1 * t52 * t116) * t58; in func_pol()
504 t206 = t116 * t116; in func_pol()
524 …t260 = (0.4e1 / 0.9e1 * t247 * t114 + 0.8e1 / 0.3e1 * t250 * t158 + 0.4e1 / 0.9e1 * t253 * t116 - … in func_pol()
567 t347 = t206 * t116; in func_pol()
568 t350 = t205 * t116; in func_pol()
588 …50 * t290 - 0.8e1 / 0.27e2 * t413 * t206 - 0.16e2 / 0.9e1 * t416 * t158 * t116 + 0.4e1 / 0.9e1 * t… in func_pol()
602 ….3e1 * t49 * t446 - 0.8e1 / 0.27e2 * t449 * t116 - 0.16e2 / 0.9e1 * t253 * t199 + 0.4e1 / 0.9e1 * … in func_pol()
659 …t116 + 0.40e2 / 0.81e2 * t549 * t144 * t334 - 0.8e1 / 0.9e1 * t400 * t114 * t201 - 0.16e2 / 0.9e1 … in func_pol()
[all …]
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| H A D | lda_x_sloc.c | 231 double t113, t116, t120, t121, t123, t127; in func_pol() local
365 t116 = 0.2e1 * t24 + 0.2e1 * t70; in func_pol()
368 t123 = -t116; in func_pol()
369 t127 = t22 * t116 * t27 + t30 * t123 * t32 - t22 * t113 + t62 * t113 - t30 * t121 + t76 * t121; in func_pol()
440 t276 = t93 * t116; in func_pol()
456 t319 = t318 * t116; in func_pol()
547 t638 = t205 * t116; in func_pol()
554 t657 = t208 * t116; in func_pol()
581 t815 = t22 * t116; in func_pol()
587 t856 = t112 * t153 * t116; in func_pol()
[all …]
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| H A D | lda_c_pz.c | 35 double t116, t118, t132, t133, t134, t138, t145, t146; in func_unpol() local
123 t116 = t42 * t42; in func_unpol()
124 t118 = t13 / t116; in func_unpol()
186 double t116, t118, t132, t133, t134, t138, t145, t146; in func_ferr() local
274 t116 = t42 * t42; in func_ferr()
275 t118 = t13 / t116; in func_ferr()
334 double t111, t112, t114, t116, t120, t131, t132, t134; in func_pol() local
447 t116 = t45 * t89 * t1; in func_pol()
448 t120 = -t116 * t94 / 0.12e2 - t49 * t94 / 0.12e2; in func_pol()
493 t216 = -t209 * t177 / 0.18e2 + t116 * t182 / 0.9e1 + t49 * t182 / 0.9e1; in func_pol()
[all …]
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| /dports/science/ergo/ergo-3.8/source/dft/ |
| H A D | fun-pbec.c | 239 real t113, t114, t115, t116; in pbec_first() local
379 t116 = 499.0179939197864*t46*t57*t10*t56*t115*t49*t59+ in pbec_first()
395 t3*t51*t67*(t98-.1383178583708611*t116*t50*t55*t56*t60*t65- in pbec_first()
398 t63*t105*(-.5283353010625738*t57*t10*t52*t54*t32*t116*t65* in pbec_first()
453 real t113, t114, t115, t116, t117, t118, t119; in pbec_second() local
611 t116 = 1/POW(t49,5.0); in pbec_second()
628 t53*t68*t59*t113*t116*t52*t69+t122; in pbec_second()
655 t53*t68*t59*t116*t138*t52*t69+t122; in pbec_second()
814 t251 = -2661.429300905527*t17*t61*t10*t113*t116*t138* in pbec_second()
871 t287 = -2661.429300905527*t17*t61*t10*t116*t285*t51*t63- in pbec_second()
[all …]
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
| H A D | fun-pbec.c | 246 real t113, t114, t115, t116; in pbec_first() local
386 t116 = 499.0179939197864*t46*t57*t10*t56*t115*t49*t59+ in pbec_first()
402 t3*t51*t67*(t98-.1383178583708611*t116*t50*t55*t56*t60*t65- in pbec_first()
405 t63*t105*(-.5283353010625738*t57*t10*t52*t54*t32*t116*t65* in pbec_first()
460 real t113, t114, t115, t116, t117, t118, t119; in pbec_second() local
618 t116 = 1/pow(t49,5.0); in pbec_second()
635 t53*t68*t59*t113*t116*t52*t69+t122; in pbec_second()
662 t53*t68*t59*t116*t138*t52*t69+t122; in pbec_second()
821 t251 = -2661.429300905527*t17*t61*t10*t113*t116*t138* in pbec_second()
878 t287 = -2661.429300905527*t17*t61*t10*t116*t285*t51*t63- in pbec_second()
[all …]
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| H A D | fun-b97-d.c | 271 real t113, t114, t115, t116, t117, t118, t119; in b97_d_first() local
413 t116 = pow(gradb,4.0); in b97_d_first()
519 real t113, t114, t115, t116, t117, t118, t119; in b97_d_second() local
674 t116 = t114-4.0*t115*t73; in b97_d_second()
675 t117 = .01975178970256521*t70*t116*t75*t79*t82; in b97_d_second()
1079 real t113, t114, t115, t116, t117, t118, t119; in b97_d_third() local
1263 t116 = t114-4.0*t115*t73; in b97_d_third()
1264 t117 = .01975178970256521*t70*t116*t75*t79*t82; in b97_d_third()
2365 real t113, t114, t115, t116, t117, t118, t119; in b97_d_fourth() local
2592 t116 = t114-4.0*t115*t73; in b97_d_fourth()
[all …]
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
| H A D | i2312.cc | 119 double t116; in i2312() local
523 t116=t42*t78; in i2312()
553 t117=t3*t116; in i2312()
764 t160=t7*t116; in i2312()
861 t48=t36*t116; in i2312()
867 t116=t62+t48; in i2312()
872 t116=t48+t4; in i2312()
874 t4=t144*t116; in i2312()
921 t4=t36*t116; in i2312()
1044 t116=t39+t30; in i2312()
[all …]
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| H A D | i0312.cc | 119 double t116; in i0312() local
543 t116=t42*t78; in i0312()
576 t122=t3*t116; in i0312()
793 t162=t7*t116; in i0312()
890 t48=t36*t116; in i0312()
896 t116=t62+t48; in i0312()
901 t116=t48+t4; in i0312()
950 t4=t36*t116; in i0312()
1240 t66=t2*t116; in i0312()
1441 t116=t9+t61; in i0312()
[all …]
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| H A D | i1312.cc | 119 double t116; in i1312() local
535 t116=t42*t78; in i1312()
566 t122=t3*t116; in i1312()
782 t162=t7*t116; in i1312()
879 t48=t36*t116; in i1312()
885 t116=t62+t48; in i1312()
890 t116=t48+t4; in i1312()
939 t4=t36*t116; in i1312()
1228 t66=t2*t116; in i1312()
1428 t116=t9+t61; in i1312()
[all …]
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| H A D | i0333AB.cc | 119 double t116; in i0333eAB() local
527 t117=t116+t115; in i0333eAB()
529 t116=t115+t117; in i0333eAB()
531 t118=t115+t116; in i0333eAB()
535 t115=t6*t116; in i0333eAB()
918 t116=t8+t210; in i0333eAB()
922 t210=t60+t116; in i0333eAB()
925 t116=t1*t60; in i0333eAB()
927 t211=t60+t116; in i0333eAB()
1066 t8=t116+t23; in i0333eAB()
[all …]
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| H A D | i1333AB.cc | 119 double t116; in i1333eAB() local
527 t117=t116+t115; in i1333eAB()
529 t116=t115+t117; in i1333eAB()
531 t118=t115+t116; in i1333eAB()
535 t115=t6*t116; in i1333eAB()
918 t116=t8+t210; in i1333eAB()
922 t210=t60+t116; in i1333eAB()
925 t116=t1*t60; in i1333eAB()
927 t211=t60+t116; in i1333eAB()
1066 t8=t116+t23; in i1333eAB()
[all …]
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| H A D | i3312.cc | 119 double t116; in i3312() local
513 t116=t42*t78; in i3312()
543 t117=t3*t116; in i3312()
747 t160=t7*t116; in i3312()
838 t48=t36*t116; in i3312()
844 t116=t62+t48; in i3312()
848 t116=t48+t4; in i3312()
849 t4=t144*t116; in i3312()
895 t4=t36*t116; in i3312()
1272 t13=t7*t116; in i3312()
[all …]
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| H A D | i2333AB.cc | 119 double t116; in i2333eAB() local
521 t117=t116+t115; in i2333eAB()
523 t116=t115+t117; in i2333eAB()
525 t118=t115+t116; in i2333eAB()
528 t115=t6*t116; in i2333eAB()
905 t116=t8+t210; in i2333eAB()
909 t210=t60+t116; in i2333eAB()
912 t116=t1*t60; in i2333eAB()
914 t211=t60+t116; in i2333eAB()
1053 t8=t116+t23; in i2333eAB()
[all …]
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