| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_ev93.c | 192 t171 = t9 * t90; in func_unpol()
211 t218 = t171 * t133; in func_unpol()
270 t365 = t171 * t233; in func_unpol()
281 t402 = t171 * t222; in func_unpol()
301 t449 = t171 * t253; in func_unpol()
307 t463 = t171 * t262; in func_unpol()
1130 t171 = t16 * t99; in func_pol()
1133 t175 = t170 * t171 * t173; in func_pol()
1147 t192 = t170 * t171 * t190; in func_pol()
1168 t229 = t217 * t171 * t227; in func_pol()
[all …]
|
| H A D | gga_k_pw86.c | 157 t171 = t38 * t38; in func_unpol()
802 t313 = t171 * t128; in func_pol()
821 t338 = t143 * t171; in func_pol()
830 t350 = t171 * t171; in func_pol()
1017 t651 = t171 * t272; in func_pol()
1035 t683 = t171 * t264; in func_pol()
1079 t785 = t7 * t171; in func_pol()
1093 t815 = t333 * t171; in func_pol()
1098 t822 = t342 * t171; in func_pol()
1104 t830 = t171 * t369; in func_pol()
[all …]
|
| H A D | gga_k_mpbe.c | 173 t171 = params->c1 * t47; in func_unpol()
174 t172 = t171 * t49; in func_unpol()
248 t394 = t171 * t173; in func_unpol()
498 t171 = t45 * t31; in func_ferr()
499 t173 = 0.1e1 / t8 / t171; in func_ferr()
607 t528 = 0.1e1 / t171; in func_ferr()
910 t171 = t1 * t20; in func_pol()
1023 t376 = t169 * t360 * t171; in func_pol()
1096 t515 = t236 * t360 * t171; in func_pol()
1218 t791 = t169 * t789 * t171; in func_pol()
[all …]
|
| H A D | gga_c_w94.c | 468 double t163, t164, t165, t168, t169, t171, t172, t173; in func_pol() local
720 t171 = t49 * t46; in func_pol()
727 … + 0.25e2 / 0.36e2 * t163 * t165 - 0.5e1 / 0.6e1 * t169 + 0.5e1 / 0.9e1 * t171 * t173 + 0.5e1 / 0.… in func_pol()
900 ….10e2 / 0.9e1 * t171 * t423 + 0.5e1 / 0.9e1 * t171 * t426 + 0.25e2 / 0.18e2 * t163 * t430 + 0.5e1 … in func_pol()
932 …0.9e1 * t482 - 0.5e1 / 0.27e2 * t171 * t485 + 0.10e2 / 0.9e1 * t171 * t488 - 0.5e1 / 0.6e1 * t492 … in func_pol()
1242 …t1071 = 0.20e2 / 0.27e2 * t1031 - 0.10e2 / 0.9e1 * t171 * t341 * t111 * t129 + 0.20e2 / 0.9e1 * t1… in func_pol()
1279 …t171 * t119 * t387 * t56 + 0.5e1 / 0.3e1 * t171 * t422 * t129 + 0.5e1 / 0.9e1 * t171 * t172 * t362… in func_pol()
1337 …0e2 / 0.9e1 * t1357 + 0.20e2 / 0.81e2 * t171 * t969 * t184 * t111 + 0.5e1 / 0.3e1 * t1364 - 0.5e1 … in func_pol()
1340 …t171 * t484 * t129 + 0.10e2 / 0.9e1 * t171 * t172 * t387 - 0.5e1 / 0.3e1 * t1401 - 0.5e1 / 0.6e1 *… in func_pol()
1369 …t171 * t969 * t511 * t56 - 0.5e1 / 0.9e1 * t171 * t484 * t178 + 0.5e1 / 0.3e1 * t171 * t422 * t196… in func_pol()
[all …]
|
| H A D | gga_c_q2d.c | 1951 t171 = t36 * t170; in func_ferr()
1952 t172 = t98 * t171; in func_ferr()
5925 t171 = t34 * t37; in func_pol()
6095 t446 = t171 * t283; in func_pol()
6110 t476 = t171 * t50; in func_pol()
6227 t680 = t171 * t631; in func_pol()
6778 t1634 = t171 * t301; in func_pol()
6917 t1877 = t171 * t640; in func_pol()
7622 t3005 = t171 * t172; in func_pol()
7653 t3047 = t171 * t160; in func_pol()
[all …]
|
| H A D | gga_k_dk.c | 1097 t171 = -t121; in func_pol()
1098 t172 = t110 * t171; in func_pol()
1228 t384 = t171 * t171; in func_pol()
1263 t433 = t188 * t171; in func_pol()
1275 t456 = t227 * t171; in func_pol()
1375 t609 = t288 * t171; in func_pol()
1496 t789 = t384 * t171; in func_pol()
1563 t892 = t171 * t392; in func_pol()
1611 t984 = t7 * t171; in func_pol()
1688 t1093 = t489 * t171; in func_pol()
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_vs98.F | 3141 6 ammabb*t171*t33*t53*t61-1.030176d-2*t171*t172*t25*t59*t
3164 5 106*t126*t171-6.09932d-3*t100*t103*t104*t126*t171-3.049
3468 ? *t171+1.86008522312d-5*t100*t107*t111*t126*t171+1.62648
3498 2 *t171*t53*taub+4.066213333333334d-2*t100*t103*t126*t171
3557 = *t289*t96-3.04966d-3*t171*t186*t96-3.04966d-3*t171*t198
3560 @ d-3*t171*t49*t52*t64-5.15088d-3*rhob*t171*t184*t52*t64-
3561 1 5.15088d-3*rhob*t171*t174*t49*t52-5.15088d-3*t171*t185)
3638 ; 6*t171*t18-3.04966d-3*t102*t107*t171*t18+1.626485333333
9951 2 *rhob*t171*t174*t49*t52-5.15088d-3*t171*t185
10013 1 3.04966d-3*t171*t198-3.04966d-3*t109*t171*t197
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_vs98.F | 3141 6 ammabb*t171*t33*t53*t61-1.030176d-2*t171*t172*t25*t59*t
3164 5 106*t126*t171-6.09932d-3*t100*t103*t104*t126*t171-3.049
3468 ? *t171+1.86008522312d-5*t100*t107*t111*t126*t171+1.62648
3498 2 *t171*t53*taub+4.066213333333334d-2*t100*t103*t126*t171
3557 = *t289*t96-3.04966d-3*t171*t186*t96-3.04966d-3*t171*t198
3560 @ d-3*t171*t49*t52*t64-5.15088d-3*rhob*t171*t184*t52*t64-
3561 1 5.15088d-3*rhob*t171*t174*t49*t52-5.15088d-3*t171*t185)
3638 ; 6*t171*t18-3.04966d-3*t102*t107*t171*t18+1.626485333333
9951 2 *rhob*t171*t174*t49*t52-5.15088d-3*t171*t185
10013 1 3.04966d-3*t171*t198-3.04966d-3*t109*t171*t197
[all …]
|
| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
| H A D | i0313.cc | 174 double t171; in i0313() local
868 t171=t70*t48; in i0313()
870 t26=t48+t171; in i0313()
872 t171=t51*t98; in i0313()
923 t171=t16+t48; in i0313()
925 t48=t16+t171; in i0313()
927 t171=t70*t90; in i0313()
943 t189=t6*t171; in i0313()
963 t128=t1*t171; in i0313()
3018 t2=t8*t171; in i0313()
[all …]
|
| H A D | i3333.cc | 174 double t171; in i3333() local
802 t171=t79*t48; in i3333()
804 t26=t48+t171; in i3333()
806 t171=t51*t98; in i3333()
830 t171=t79*t88; in i3333()
834 t16=t14*t171; in i3333()
846 t178=t6*t171; in i3333()
850 t25=t4*t171; in i3333()
856 t178=t1*t171; in i3333()
2044 t91=t4*t171; in i3333()
[all …]
|
| H A D | i0333.cc | 174 double t171; in i0333() local
824 t171=t79*t48; in i0333()
826 t26=t48+t171; in i0333()
828 t171=t51*t98; in i0333()
853 t171=t79*t88; in i0333()
857 t16=t14*t171; in i0333()
869 t178=t6*t171; in i0333()
873 t25=t4*t171; in i0333()
879 t178=t1*t171; in i0333()
2118 t91=t4*t171; in i0333()
[all …]
|
| H A D | i2333.cc | 174 double t171; in i2333() local
809 t171=t79*t48; in i2333()
811 t26=t48+t171; in i2333()
813 t171=t51*t98; in i2333()
838 t171=t79*t88; in i2333()
842 t16=t14*t171; in i2333()
854 t178=t6*t171; in i2333()
858 t25=t4*t171; in i2333()
864 t178=t1*t171; in i2333()
2085 t91=t4*t171; in i2333()
[all …]
|
| H A D | i1333.cc | 174 double t171; in i1333() local
817 t171=t79*t48; in i1333()
819 t26=t48+t171; in i1333()
821 t171=t51*t98; in i1333()
846 t171=t79*t88; in i1333()
850 t16=t14*t171; in i1333()
862 t178=t6*t171; in i1333()
866 t25=t4*t171; in i1333()
872 t178=t1*t171; in i1333()
2106 t91=t4*t171; in i1333()
[all …]
|
| H A D | i1323.cc | 174 double t171; in i1323() local
861 t171=t6*t154; in i1323()
864 t171=t14*t95; in i1323()
2822 t171=t13+t2; in i1323()
2824 t2=t257*t171; in i1323()
2923 t2=t43*t171; in i1323()
3001 t167=t1*t171; in i1323()
3110 t4=t9*t171; in i1323()
3123 t171=t155+t4; in i1323()
3125 t4=t257*t171; in i1323()
[all …]
|
| H A D | i0333AB.cc | 174 double t171; in i0333eAB() local
716 t169=t4*t171; in i0333eAB()
873 t79=t149*t171; in i0333eAB()
893 t171=t1*t105; in i0333eAB()
897 t62=t171+t183; in i0333eAB()
1051 t33=t171+t105; in i0333eAB()
1323 t171=t164+t32; in i0333eAB()
1327 t40=t164+t171; in i0333eAB()
1331 t171=t149*t26; in i0333eAB()
1332 t26=t190*t171; in i0333eAB()
[all …]
|
| H A D | i1333AB.cc | 174 double t171; in i1333eAB() local
716 t169=t4*t171; in i1333eAB()
873 t79=t149*t171; in i1333eAB()
893 t171=t1*t105; in i1333eAB()
897 t62=t171+t183; in i1333eAB()
1051 t33=t171+t105; in i1333eAB()
1323 t171=t164+t32; in i1333eAB()
1327 t40=t164+t171; in i1333eAB()
1331 t171=t149*t26; in i1333eAB()
1332 t26=t190*t171; in i1333eAB()
[all …]
|
| H A D | i2333AB.cc | 174 double t171; in i2333eAB() local
706 t169=t4*t171; in i2333eAB()
860 t79=t149*t171; in i2333eAB()
880 t171=t1*t105; in i2333eAB()
884 t62=t171+t183; in i2333eAB()
1038 t33=t171+t105; in i2333eAB()
1299 t171=t164+t32; in i2333eAB()
1303 t40=t164+t171; in i2333eAB()
1307 t171=t149*t26; in i2333eAB()
1308 t26=t190*t171; in i2333eAB()
[all …]
|
| H A D | i3333AB.cc | 174 double t171; in i3333eAB() local
701 t171=t169+t163; in i3333eAB()
722 t173=t172+t171; in i3333eAB()
724 t171=t3*t144; in i3333eAB()
726 t177=t172+t171; in i3333eAB()
727 t171=t4*t177; in i3333eAB()
728 t172=t27*t171; in i3333eAB()
933 t161=t12*t171; in i3333eAB()
937 t171=t62*t3; in i3333eAB()
938 t194=t21+t171; in i3333eAB()
[all …]
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_ml1.c | 829 t171 = t50 * t170; in func_pol()
1000 t512 = t171 * t501 * t68; in func_pol()
1109 t844 = t171 * t501 * t189; in func_pol()
1292 t1299 = t171 * t501 * t270; in func_pol()
1328 t1396 = t171 * t1391 * t68; in func_pol()
1413 t1632 = t171 * t514 * t285; in func_pol()
1724 t2342 = t171 * t514 * t602; in func_pol()
1727 t2355 = t171 * t514 * t614; in func_pol()
2051 t3439 = t171 * t501 * t856; in func_pol()
2217 t4083 = t171 * t4075 * t68; in func_pol()
[all …]
|
| H A D | lda_c_2d_prm.c | 39 double t160, t162, t163, t164, t167, t169, t171, t172; in func_unpol() local
172 t171 = t162 * t6; in func_unpol()
173 t172 = t171 * t31; in func_unpol()
180 …t186 = 0.14727750000000000000e1 * t171 + 0.57841765350000000000e1 * t182 - 0.17843572366957123321e… in func_unpol()
196 t216 = t171 * t17; in func_unpol()
231 … t82 - 0.37496092997153729710e0 * t269 * t17 + 0.59993748795445967538e0 * t171 * t50 - 0.147262155… in func_unpol()
276 double t160, t162, t163, t164, t167, t169, t171, t172; in func_ferr() local
409 t171 = t162 * t6; in func_ferr()
410 t172 = t171 * t31; in func_ferr()
417 …t186 = 0.14727750000000000000e1 * t171 + 0.57841765350000000000e1 * t182 - 0.17843572366957123321e… in func_ferr()
[all …]
|
| H A D | lda_x_2d.c | 188 double t151, t152, t154, t155, t158, t168, t171, t182; in func_pol() local
321 t171 = t62 * t5; in func_pol()
322 ….9e1 / 0.2e1 * t80 * t129 - 0.3e1 / 0.16e2 * t168 * t63 - 0.3e1 / 0.2e1 * t171 * t56 * t29 + 0.3e1… in func_pol()
374 …t171 * t129 * t29 + 0.9e1 / 0.32e2 * t255 * t36 * t122 - 0.9e1 / 0.16e2 * t155 * t27 * t59 - 0.9e1… in func_pol()
388 …0.8e1 * t201 * t57 - 0.9e1 / 0.16e2 * t168 * t104 * t29 - 0.9e1 / 0.4e1 * t171 * t56 * t104 + 0.9e… in func_pol()
|
| H A D | lda_c_gk72.c | 37 double t157, t158, t161, t171, t172, t180, t181; in func_unpol() local
139 t171 = 0.1e1 / t30 / t23 / t35 / t2 / t101 / 0.192e3; in func_unpol()
140 t172 = t29 * t171; in func_unpol()
159 …419753086419753087e0 * t25 * t5 * t157 + 0.74200000000000000002e3 * t67 * t171 * t2 * t204 - 0.989… in func_unpol()
202 double t157, t158, t161, t171, t172, t180, t181; in func_ferr() local
304 t171 = 0.1e1 / t30 / t23 / t35 / t2 / t101 / 0.192e3; in func_ferr()
305 t172 = t29 * t171; in func_ferr()
324 …419753086419753087e0 * t25 * t5 * t157 + 0.74200000000000000002e3 * t67 * t171 * t2 * t204 - 0.989… in func_ferr()
|
| H A D | lda_c_chachiyo_mod.c | 279 double t171, t174, t177, t180, t183, t184, t189, t190; in func_pol() local
449 t171 = t141 * t90; in func_pol()
453 …t183 = -t171 * t79 / 0.9e1 + 0.2e1 / 0.3e1 * t174 * t146 - t177 * t82 / 0.9e1 - 0.2e1 / 0.3e1 * t1… in func_pol()
543 …t351 = 0.4e1 / 0.27e2 * t325 * t142 - 0.4e1 / 0.9e1 * t328 * t146 * t79 - t171 * t149 / 0.9e1 + 0.… 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()
580 …t430 = 0.4e1 / 0.27e2 * t273 * t413 - t171 * t197 / 0.3e1 + t75 * t419 / 0.3e1 + 0.4e1 / 0.27e2 * … in func_pol()
643 …/ 0.3e1 * t153 * t146 * t82 + 0.2e1 / 0.3e1 * t341 * t146 * t157 - t638 - t171 * t284 / 0.9e1 - 0.… in func_pol()
652 …149 - 0.8e1 / 0.9e1 * t141 * t671 * t674 - 0.4e1 / 0.9e1 * t171 * t146 + 0.4e1 / 0.3e1 * t171 * t2… in func_pol()
669 … 0.4e1 / 0.9e1 * t325 * t197 * t79 - 0.2e1 / 0.3e1 * t328 * t146 * t197 - t171 * t382 / 0.3e1 - t1… in func_pol()
683 …876 + 0.8e1 / 0.9e1 * t372 * t197 - t141 * t881 / 0.3e1 - 0.4e1 / 0.9e1 * t171 * t419 + t75 * t887… in func_pol()
|
| H A D | lda_c_1d_csc.c | 39 double t157, t158, t160, t163, t164, t169, t170, t171; in func_unpol() local
163 t171 = t170 * t64; in func_unpol()
251 double t157, t158, t160, t163, t164, t169, t170, t171; in func_ferr() local
375 t171 = t170 * t64; in func_ferr()
464 double t170, t171, t172, t173, t174, t175, t177, t178; in func_pol() local
648 t171 = t167 * t170; in func_pol()
683 …17 * t220 - 0.2e1 * t50 * t229 + t50 * t245 + t151 + t154 - t156 + t165 - t171 - t175 + t181 - t19… in func_pol()
697 …t261 = -t151 - t154 + t156 - t165 + t171 + t175 - t181 + t196 + t249 + t252 - t254 + t256 - t258 +… in func_pol()
701 t263 = -t151 - t154 + t156 - t165 + t171 + t175 - t181 + t196 + t249 - t254 - t256 + t260; in func_pol()
705 …t265 = -t151 - t154 + t156 - t165 + t171 + t175 - t181 + t196 + t249 - t252 - t254 + t256 + t258 +… in func_pol()
[all …]
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | hyb_mgga_x_dldf.c | 184 t171 = t170 * t9; in func_unpol()
188 t179 = t171 * t174; in func_unpol()
279 t356 = t171 * t335; in func_unpol()
406 t645 = t171 * t634; in func_unpol()
1378 t171 = -t120; in func_pol()
1379 t172 = t108 * t171; in func_pol()
1538 t401 = t171 * t171; in func_pol()
1568 t446 = t189 * t171; in func_pol()
1578 t464 = t463 * t171; in func_pol()
1583 t472 = t225 * t171; in func_pol()
[all …]
|