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Searched refs:t36 (Results 1 – 25 of 1654) sorted by relevance

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/dports/science/ergo/ergo-3.8/source/dft/
H A Dfun-pw92c.c556 t36 = 1/t19; in pw92c_second()
1027 t36*t41*t5*grada+t258+t257)-2.656434474616293*t36*t21*t76* in pw92c_second()
1031 t36*t29*grada*t3*t39*t100*t111*t77)+5.312868949232586*t36* in pw92c_second()
1043 t36*t41*t5*gradb+t267+t266)-2.656434474616293*t36*t21*t76* in pw92c_second()
1047 t36*t29*gradb*t3*t39*t100*t111*t77)+5.312868949232586*t36* in pw92c_second()
1063 t36*t21*t76*t180*t207*t145-2.656434474616293*t36*t21*t183* in pw92c_second()
1078 t284*t3*t36*t40*t5+2.333333333333333*t102*t151*t21*t3*t36* in pw92c_second()
1108 t36*t41*t5*grada+t258+t257)-2.656434474616293*t36*t21*t76* in pw92c_second()
1112 t36*t29*grada*t3*t39*t151*t111*t77)+5.312868949232586*t36* in pw92c_second()
1124 t36*t41*t5*gradb+t267+t266)-2.656434474616293*t36*t21*t76* in pw92c_second()
[all …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/
H A Dfun-pw92c.c560 t36 = 1/t19; in pw92c_second()
1031 t36*t41*t5*grada+t258+t257)-2.656434474616293*t36*t21*t76* in pw92c_second()
1035 t36*t29*grada*t3*t39*t100*t111*t77)+5.312868949232586*t36* in pw92c_second()
1047 t36*t41*t5*gradb+t267+t266)-2.656434474616293*t36*t21*t76* in pw92c_second()
1051 t36*t29*gradb*t3*t39*t100*t111*t77)+5.312868949232586*t36* in pw92c_second()
1067 t36*t21*t76*t180*t207*t145-2.656434474616293*t36*t21*t183* in pw92c_second()
1082 t284*t3*t36*t40*t5+2.333333333333333*t102*t151*t21*t3*t36* in pw92c_second()
1112 t36*t41*t5*grada+t258+t257)-2.656434474616293*t36*t21*t76* in pw92c_second()
1116 t36*t29*grada*t3*t39*t151*t111*t77)+5.312868949232586*t36* in pw92c_second()
1128 t36*t41*t5*gradb+t267+t266)-2.656434474616293*t36*t21*t76* in pw92c_second()
[all …]
H A Dfun-pw91nc.c235 t37 = 16.0818243221511/t36+1.0; in pw91nc_first()
413 t35*t22*grada*t3*t36*t51; in pw91nc_second()
422 t35*t22*gradb*t3*t36*t51; in pw91nc_second()
457 t32*t36*t47*t51*t97-0.010866451862236*t32*t36*t47*t51*t96+ in pw91nc_second()
940 t35*t22*t36*t53*t49; in pw91nc_third()
980 t36*t63+0.021732903724472*t112*t198*t32*t36*t63-0.032599355586708* in pw91nc_third()
1321 gradb*t36*t84*t62*t49-0.195265757395493*t21*t156*grada*t36* in pw91nc_third()
1335 t35*t22*t36*t70*t62*t49-0.14701341912354*t35*t22*grada*t36* in pw91nc_third()
1338 t36*t50*t70*t102*t51+0.781063029581974*t21*t156*grada*t36* in pw91nc_third()
1358 gradb*t36*t77*t62*t51+0.781063029581974*t21*t156*gradb*t36* in pw91nc_third()
[all …]
H A Dfun-lg93.c291 t37 = 1/t36; in lg93_second_helper()
417 t37 = 1/t36; in lg93_third_helper()
464 t45-0.024350299324*t48*t26*t49*t36+0.024974*t56*t26*t35*t36+ in lg93_third_helper()
627 t37 = 1/t36; in lg93_fourth_helper()
707 t45-0.024350299324*t48*t26*t49*t36+0.024974*t56*t26*t35*t36+ in lg93_fourth_helper()
723 t36-0.073050897972*t56*t34*t26*t49*t36+0.024974*t75*t26*t35* in lg93_fourth_helper()
751 t43*t26*t49*t36+0.048092474272682*t81*t26*t68*t36-3.7461E-10* in lg93_fourth_helper()
795 t36-0.073050897972*t56*t58*t26*t49*t36-0.024350299324*t75* in lg93_fourth_helper()
796 t43*t26*t49*t36-0.073050897972*t77*t34*t26*t49*t36+0.024974* in lg93_fourth_helper()
828 t58*t34*t43*t26*t68*t36-0.024350299324*t56*t61*t26*t49*t36- in lg93_fourth_helper()
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/
H A Dnwxcm_c_sogga.F1300 3 04*t31*t36*t95*t96-2.1174999530315877d-3*t173*t31*t33*t36
1349 8 8*t31*t32*t36*t37+6.352499859094763d-3*t104*t197*t31*t36*
1359 8 18*t31*t32*t36*t37-6.352499859094763d-3*t104*t197*t31*t36
1396 4 t36*t96-1.2704999718189527d-2*t214*t31*t32*t36*t37-6.3524
1413 3 t33*t36*t37*t49*t50-2.1174999530315877d-3*t107*t33*t36*t3
1416 6 *t33*t36*t37*t38*t42*t43-6.352499859094763d-3*t33*t36*t37
1431 5 t36*t37*t51*t54+1.2704999718189527d-2*t106*t188*t33*t36*t
1442 @ 185*t33*t36*t37*t40*t43-6.352499859094763d-3*t105*t33*t36
1450 3 *t33*t36*t37*t49*t50-4.2349999060631754d-3*t107*t33*t36*t
1453 6 -2*t33*t36*t37*t38*t42*t43-1.2704999718189527d-2*t33*t36*
[all …]
H A Dnwxcm_c_vwn4.F228 t37 = t36**2
1068 1 t36*t68
1241 1 t36*t68
2002 > *t36*t40*t45*t75*t76-3.9381165894987163d-1*t107*t108*t36*
2006 2 *t150*t151*t36*t40*t44*t45-2.917123399628679d-1*t201*t36*
2008 4 97*t198*t36*t40-2.625411059665811d-1*t101*t108*t36*t40-1.
2242 1 t36*t68
2276 : 0592240396d-2*t36*t58*t60*t68+4.176057139642926d-2*t36*t4
2453 < t36*t44+4.947718859586276d+1*t100*t101*t102*t36)*wght+3.0
2605 : 0592240396d-2*t36*t58*t60*t68+4.176057139642926d-2*t36*t4
[all …]
H A Dnwxcm_c_vwn5.F228 t37 = t36**2
345 t36 = 1/t2**3
428 t36 = 1/t2**3
738 t37 = t36**2
1051 1 *t36*t68
1224 1 *t36*t68
2002 > *t36*t40*t45*t75*t76-3.9381165894987163d-1*t107*t108*t36*
2006 2 *t150*t151*t36*t40*t44*t45-2.917123399628679d-1*t201*t36*
2008 4 97*t198*t36*t40-2.625411059665811d-1*t101*t108*t36*t40-1.
2276 : 0592240396d-2*t36*t58*t60*t68+4.176057139642926d-2*t36*t4
[all …]
H A Dnwxcm_x_sogga.F210 t40 = t32*t4+t22*t39+t20*t38+t16*t37+t24*t36**5.0d+0+t25*t36
634 t40 = t32*t4+t22*t39+t20*t38+t16*t37+t24*t36**5.0d+0+t25*t36
922 : mmaaa*t14*t35*t36+7.22374750904299d-5*gammaaa*t13*t33*t36
925 = t15*t23*t36+1.8059368772607476d-4*gammaaa*t15*t21*t22*t36
1041 : mmabb*t14*t35*t36+7.22374750904299d-5*gammabb*t13*t33*t36
1044 = t15*t23*t36+1.8059368772607476d-4*gammabb*t15*t21*t22*t36
1268 7 *t19*t22*t36*t38-4.334248505425794d-4*gammaaa*t17*t20*t36
1322 3 t17*t20*t3*t36+8.126715947673364d-5*t16*t18*t3*t36+2.7089
1353 7 3*t16*t18*t31*t36*t47-2.1189659359859436d-3*t14*t31*t36*t
1431 ? t22*t36*t51+4.785386033224242d-6*gammaaa*t17*t20*t36*t51+
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/
H A Dnwxcm_c_sogga.F1300 3 04*t31*t36*t95*t96-2.1174999530315877d-3*t173*t31*t33*t36
1349 8 8*t31*t32*t36*t37+6.352499859094763d-3*t104*t197*t31*t36*
1359 8 18*t31*t32*t36*t37-6.352499859094763d-3*t104*t197*t31*t36
1396 4 t36*t96-1.2704999718189527d-2*t214*t31*t32*t36*t37-6.3524
1413 3 t33*t36*t37*t49*t50-2.1174999530315877d-3*t107*t33*t36*t3
1416 6 *t33*t36*t37*t38*t42*t43-6.352499859094763d-3*t33*t36*t37
1431 5 t36*t37*t51*t54+1.2704999718189527d-2*t106*t188*t33*t36*t
1442 @ 185*t33*t36*t37*t40*t43-6.352499859094763d-3*t105*t33*t36
1450 3 *t33*t36*t37*t49*t50-4.2349999060631754d-3*t107*t33*t36*t
1453 6 -2*t33*t36*t37*t38*t42*t43-1.2704999718189527d-2*t33*t36*
[all …]
H A Dnwxcm_c_vwn4.F228 t37 = t36**2
1068 1 t36*t68
1241 1 t36*t68
2002 > *t36*t40*t45*t75*t76-3.9381165894987163d-1*t107*t108*t36*
2006 2 *t150*t151*t36*t40*t44*t45-2.917123399628679d-1*t201*t36*
2008 4 97*t198*t36*t40-2.625411059665811d-1*t101*t108*t36*t40-1.
2242 1 t36*t68
2276 : 0592240396d-2*t36*t58*t60*t68+4.176057139642926d-2*t36*t4
2453 < t36*t44+4.947718859586276d+1*t100*t101*t102*t36)*wght+3.0
2605 : 0592240396d-2*t36*t58*t60*t68+4.176057139642926d-2*t36*t4
[all …]
H A Dnwxcm_c_vwn5.F228 t37 = t36**2
345 t36 = 1/t2**3
428 t36 = 1/t2**3
738 t37 = t36**2
1051 1 *t36*t68
1224 1 *t36*t68
2002 > *t36*t40*t45*t75*t76-3.9381165894987163d-1*t107*t108*t36*
2006 2 *t150*t151*t36*t40*t44*t45-2.917123399628679d-1*t201*t36*
2008 4 97*t198*t36*t40-2.625411059665811d-1*t101*t108*t36*t40-1.
2276 : 0592240396d-2*t36*t58*t60*t68+4.176057139642926d-2*t36*t4
[all …]
H A Dnwxcm_x_sogga.F210 t40 = t32*t4+t22*t39+t20*t38+t16*t37+t24*t36**5.0d+0+t25*t36
634 t40 = t32*t4+t22*t39+t20*t38+t16*t37+t24*t36**5.0d+0+t25*t36
922 : mmaaa*t14*t35*t36+7.22374750904299d-5*gammaaa*t13*t33*t36
925 = t15*t23*t36+1.8059368772607476d-4*gammaaa*t15*t21*t22*t36
1041 : mmabb*t14*t35*t36+7.22374750904299d-5*gammabb*t13*t33*t36
1044 = t15*t23*t36+1.8059368772607476d-4*gammabb*t15*t21*t22*t36
1268 7 *t19*t22*t36*t38-4.334248505425794d-4*gammaaa*t17*t20*t36
1322 3 t17*t20*t3*t36+8.126715947673364d-5*t16*t18*t3*t36+2.7089
1353 7 3*t16*t18*t31*t36*t47-2.1189659359859436d-3*t14*t31*t36*t
1431 ? t22*t36*t51+4.785386033224242d-6*gammaaa*t17*t20*t36*t51+
[all …]
/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/
H A Di0202.cc39 double t36; in i0202() local
207 t36=t25*t7; in i0202()
208 t37=t36+t35; in i0202()
210 t36=t35+t30; in i0202()
212 t38=t35+t36; in i0202()
214 t36=t35+t33; in i0202()
235 t36=t4*t44; in i0202()
241 t36=t1*t45; in i0202()
530 t8=t36*t5; in i0202()
545 t8=t36*t7; in i0202()
[all …]
H A Di1212.cc39 double t36; in i1212() local
200 t36=t25*t7; in i1212()
201 t37=t36+t35; in i1212()
203 t36=t35+t30; in i1212()
205 t38=t35+t36; in i1212()
207 t36=t35+t33; in i1212()
228 t36=t4*t44; in i1212()
234 t36=t1*t45; in i1212()
517 t8=t36*t5; in i1212()
532 t8=t36*t7; in i1212()
[all …]
H A Di0212.cc39 double t36; in i0212() local
207 t36=t25*t7; in i0212()
208 t37=t36+t35; in i0212()
210 t36=t35+t30; in i0212()
212 t38=t35+t36; in i0212()
214 t36=t35+t33; in i0212()
235 t36=t4*t44; in i0212()
241 t36=t1*t45; in i0212()
530 t8=t36*t5; in i0212()
545 t8=t36*t7; in i0212()
[all …]
H A Di3302.cc39 double t36; in i3302() local
269 t36=t25+t35; in i3302()
287 t37=t23+t36; in i3302()
289 t36=t23+t37; in i3302()
290 t23=t1*t36; in i3302()
843 t4=t36*t88; in i3302()
879 t4=t36*t21; in i3302()
885 t4=t36*t59; in i3302()
892 t4=t36*t92; in i3302()
1210 t9=t36*t97; in i3302()
[all …]
H A Di2312.cc39 double t36; in i2312() local
268 t36=t25+t35; in i2312()
286 t23=t6+t36; in i2312()
288 t36=t6+t23; in i2312()
289 t6=t1*t36; in i2312()
856 t4=t36*t84; in i2312()
894 t4=t36*t21; in i2312()
900 t4=t36*t57; in i2312()
907 t4=t36*t88; in i2312()
913 t4=t36*t99; in i2312()
[all …]
H A Di3312.cc39 double t36; in i3312() local
268 t36=t25+t35; in i3312()
286 t23=t6+t36; in i3312()
288 t36=t6+t23; in i3312()
289 t6=t1*t36; in i3312()
833 t4=t36*t84; in i3312()
868 t4=t36*t21; in i3312()
874 t4=t36*t57; in i3312()
881 t4=t36*t88; in i3312()
887 t4=t36*t99; in i3312()
[all …]
H A Di1302.cc39 double t36; in i1302() local
276 t36=t25+t35; in i1302()
294 t37=t23+t36; in i1302()
296 t36=t23+t37; in i1302()
297 t23=t1*t36; in i1302()
887 t4=t36*t88; in i1302()
930 t4=t36*t21; in i1302()
936 t4=t36*t59; in i1302()
943 t4=t36*t92; in i1302()
1277 t9=t36*t97; in i1302()
[all …]
H A Di0302.cc39 double t36; in i0302() local
282 t36=t25+t35; in i0302()
300 t37=t23+t36; in i0302()
302 t36=t23+t37; in i0302()
303 t23=t1*t36; in i0302()
898 t4=t36*t88; in i0302()
941 t4=t36*t21; in i0302()
947 t4=t36*t59; in i0302()
954 t4=t36*t92; in i0302()
1289 t9=t36*t97; in i0302()
[all …]
H A Di2302.cc39 double t36; in i2302() local
269 t36=t25+t35; in i2302()
287 t37=t23+t36; in i2302()
289 t36=t23+t37; in i2302()
290 t23=t1*t36; in i2302()
869 t4=t36*t88; in i2302()
908 t4=t36*t21; in i2302()
914 t4=t36*t59; in i2302()
921 t4=t36*t92; in i2302()
1247 t9=t36*t97; in i2302()
[all …]
H A Di0312.cc39 double t36; in i0312() local
280 t36=t25+t35; in i0312()
298 t23=t6+t36; in i0312()
300 t36=t6+t23; in i0312()
301 t6=t1*t36; in i0312()
885 t4=t36*t84; in i0312()
923 t4=t36*t21; in i0312()
929 t4=t36*t57; in i0312()
936 t4=t36*t88; in i0312()
942 t4=t36*t99; in i0312()
[all …]
H A Di1312.cc39 double t36; in i1312() local
274 t36=t25+t35; in i1312()
292 t23=t6+t36; in i1312()
294 t36=t6+t23; in i1312()
295 t6=t1*t36; in i1312()
874 t4=t36*t84; in i1312()
912 t4=t36*t21; in i1312()
918 t4=t36*t57; in i1312()
925 t4=t36*t88; in i1312()
931 t4=t36*t99; in i1312()
[all …]
H A Di1301AB.cc39 double t36; in i1301eAB() local
160 t38=t37+t36; in i1301eAB()
161 t36=t2*t38; in i1301eAB()
162 t37=t2*t36; in i1301eAB()
222 t60=t47*t36; in i1301eAB()
239 t64=t56*t36; in i1301eAB()
240 t36=t47*t64; in i1301eAB()
241 t65=t36+t3; in i1301eAB()
243 t36=t56*t49; in i1301eAB()
244 t49=t15+t36; in i1301eAB()
[all …]
H A Di0301AB.cc39 double t36; in i0301eAB() local
160 t38=t37+t36; in i0301eAB()
161 t36=t2*t38; in i0301eAB()
162 t37=t2*t36; in i0301eAB()
222 t60=t47*t36; in i0301eAB()
239 t64=t56*t36; in i0301eAB()
240 t36=t47*t64; in i0301eAB()
241 t65=t36+t3; in i0301eAB()
243 t36=t56*t49; in i0301eAB()
244 t49=t15+t36; in i0301eAB()
[all …]

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