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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/
H A Dnwxcm_c_pbeop.F112 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 …]
H A Dnwxcm_x_dldf.F132 1 0146d-1*t17*t18*t8-3.2246206206851474d+0*t14*t17*t7-2.487
253 1 146d-1*t17*t18*t8-3.2246206206851474d+0*t14*t17*t7-2.4879
254 2 069649189497d+0*t15*t17-1.4754769541349888d+1*t12*t13*t17
291 1 146d-1*t17*t18*t8-3.2246206206851474d+0*t14*t17*t7-2.4879
292 2 069649189497d+0*t15*t17-1.4754769541349888d+1*t12*t13*t17
437 1 t14*t17*t7-2.4879069649189497d+0*t15*t17-1.47547695413498
438 2 88d+1*t12*t13*t17+1.9966796007371967d+1*t10*t11*t17
492 1 195820146d+0*t17*t29*t8+7.191756064814014d+1*t12*t17*t7-1
494 3 4*t17-3.127215879613249d+1*t10*t13*t17)-9.305257363490997
714 2 88d+1*t12*t13*t17+1.9966796007371967d+1*t10*t11*t17
[all …]
H A Dnwxcm_x_camlsd.F157 t17 = rhob**1.3333333333333333d+0
170 t29 = 1/t17
364 t17 = 5.641895835477563d-1
410 t17 = rhob**1.3333333333333333d+0
431 t34 = 1/t17
489 t17 = 5.641895835477563d-1
530 t17 = 5.641895835477563d-1
682 t17 = 5.641895835477563d-1
769 t34 = 1/t17
865 t17 = 5.641895835477563d-1
[all …]
H A Dnwxcm_c_bop.F186 t35 = -t1*t16*t17*t33*t34*t8*t9+t1*t16*t17*t19*t32*t9+3.3333
198 t44 = -t1*t16*t17*t34*t43*t8*t9+t1*t17*t19*t42*t8*t9+3.33333
202 t46 = t1*t16*t17*t19*t45*t9-t1*t16*t17*t27*t34*t45*t8
208 1 16*t17*t33*t34*t8*t9+1.5214d+0*t1*t16*t17*t19*t32*t9+5.07
216 1 16*t17*t34*t43*t8*t9+1.5214d+0*t1*t17*t19*t42*t8*t9+5.071
224 1 6*t17*t19*t46*t8*t9+1.1284000000000001d+0*t1*t16*t17*t19*
561 t38 = -t1*t16*t17*t36*t37*t8*t9+t1*t16*t17*t19*t35*t9+3.3333
595 t61 = t1*t16*t17*t19*t59*t9-t1*t16*t17*t27*t37*t59*t8
689 1 +t1*t100*t16*t17*t19*t9-t1*t100*t16*t17*t27*t37*t8
1715 t67 = 8.4d-3*t16*t17-8.4d-3*gammabb*t17*t52*t66
[all …]
H A Dnwxcm_c_perdew81.F376 t18 = 2.0d+0*t17*wght
448 t39 = 1.923661050931536d+0*t17*t38+t29+t25+t23
517 t17 = 1/t10**2
564 t17 = 1/t10**2
728 t21 = t20*t9+1.423d-1*t17*t18*t4
731 t24 = -2.846d-1*t17**2*t23*t4
747 t35 = 8.538000000000001d-1*t17**3*t4/t7**4
748 t36 = -8.538000000000001d-1*t17*t23*t27*t4
759 3 t14)*t4/t31**2-1.423d-1*t17*t18*t4
968 t17 = 1/t10**2
[all …]
H A Dnwxcm_x_campbe.F183 2 *t12*t14*t17*t31+t17*t31-3.536776513153214d-2*t12*t14*t18
227 t17 = 1/t14
360 2 t12*t14*t17*t31+t17*t31-3.536776513153214d-2*t12*t14*t18*
419 2 t12*t14*t17*t31+t17*t31-3.536776513153214d-2*t12*t14*t18*
655 1 3d+1*t15*t17*t34*t54+5.654866776461652d+1*rhoa*t17*t30*t3
662 1 6d-1*t17*t27*t30*t4*t42*t56+4.3293907300401946d-1*t17*t27
986 = 09*t15*t17*t21-3.536776513153214d-2*t110*t13*t15*t17*t20+
1143 1 3d+1*t15*t17*t34*t54+5.654866776461652d+1*rhoa*t17*t30*t3
1150 1 6d-1*t17*t27*t30*t4*t42*t56+4.3293907300401946d-1*t17*t27
1301 1 3d+1*t15*t17*t34*t54+5.654866776461652d+1*rhob*t17*t30*t3
[all …]
H A Dnwxcm_x_b88.F127 t17 = 1/(gammabb*t16+1)**5.0d-1
280 t17 = 1/t8**3
334 t17 = 1/t4**2
356 1 *gammaaa*t16*t17*t2)*wght+Amat(iq,D1_RA)
369 5 11*t16*t17)*wght+Amat2(iq,D2_RA_RA)
423 t17 = 1/t8**3
463 t17 = 1/t8**3
594 t17 = 1/t4**3
707 t17 = 1/t4**2
911 t17 = 1/t4**3
[all …]
/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/
H A Di0202.cc20 double t17; in i0202() local
129 t17=t14+t8; in i0202()
148 t18=t8+t17; in i0202()
149 t17=t9*t7; in i0202()
162 t12=t3+t17; in i0202()
164 t17=t3+t12; in i0202()
165 t3=t4*t17; in i0202()
531 t5=t17*t16; in i0202()
542 t8=t17*t31; in i0202()
546 t7=t17*t10; in i0202()
[all …]
H A Di2222.cc20 double t17; in i2222() local
119 t17=t14+t8; in i2222()
132 t18=t8+t17; in i2222()
133 t17=t9*t7; in i2222()
146 t12=t3+t17; in i2222()
148 t17=t3+t12; in i2222()
149 t3=t4*t17; in i2222()
330 t23=t4*t17; in i2222()
488 t5=t17*t16; in i2222()
498 t8=t17*t31; in i2222()
[all …]
H A Di1222.cc20 double t17; in i1222() local
119 t17=t14+t8; in i1222()
132 t18=t8+t17; in i1222()
133 t17=t9*t7; in i1222()
146 t12=t3+t17; in i1222()
148 t17=t3+t12; in i1222()
149 t3=t4*t17; in i1222()
339 t23=t4*t17; in i1222()
503 t5=t17*t16; in i1222()
514 t8=t17*t31; in i1222()
[all …]
H A Di1212.cc20 double t17; in i1212() local
129 t17=t14+t8; in i1212()
142 t18=t8+t17; in i1212()
143 t17=t9*t7; in i1212()
156 t12=t3+t17; in i1212()
158 t17=t3+t12; in i1212()
159 t3=t4*t17; in i1212()
518 t5=t17*t16; in i1212()
529 t8=t17*t31; in i1212()
533 t7=t17*t10; in i1212()
[all …]
H A Di0212.cc20 double t17; in i0212() local
129 t17=t14+t8; in i0212()
148 t18=t8+t17; in i0212()
149 t17=t9*t7; in i0212()
162 t12=t3+t17; in i0212()
164 t17=t3+t12; in i0212()
165 t3=t4*t17; in i0212()
531 t5=t17*t16; in i0212()
542 t8=t17*t31; in i0212()
546 t7=t17*t10; in i0212()
[all …]
H A Di0300AB.cc20 double t17; in i0300eAB() local
82 t17=t8*int_v_list001[0]; in i0300eAB()
83 int_v_list100[1]=t17; in i0300eAB()
84 t18=t6*t17; in i0300eAB()
85 t17=t18+t16; in i0300eAB()
90 t16=t18+t17; in i0300eAB()
92 t17=t13*int_v_list002[0]; in i0300eAB()
93 t18=t3*t17; in i0300eAB()
107 t21=t4*t17; in i0300eAB()
130 t2=t8*t17; in i0300eAB()
[all …]
H A Di1300AB.cc20 double t17; in i1300eAB() local
82 t17=t8*int_v_list001[0]; in i1300eAB()
83 int_v_list100[1]=t17; in i1300eAB()
84 t18=t6*t17; in i1300eAB()
85 t17=t18+t16; in i1300eAB()
90 t16=t18+t17; in i1300eAB()
92 t17=t13*int_v_list002[0]; in i1300eAB()
93 t18=t3*t17; in i1300eAB()
107 t21=t4*t17; in i1300eAB()
130 t2=t8*t17; in i1300eAB()
[all …]
H A Di0222.cc20 double t17; in i0222() local
119 t17=t14+t8; in i0222()
135 t18=t8+t17; in i0222()
136 t17=t9*t7; in i0222()
149 t12=t3+t17; in i0222()
151 t17=t3+t12; in i0222()
152 t3=t4*t17; in i0222()
347 t23=t4*t17; in i0222()
511 t5=t17*t16; in i0222()
522 t8=t17*t31; in i0222()
[all …]
H A Di2300AB.cc20 double t17; in i2300eAB() local
78 t17=t8*int_v_list001[0]; in i2300eAB()
79 t18=t6*t17; in i2300eAB()
80 t17=t18+t16; in i2300eAB()
85 t16=t18+t17; in i2300eAB()
87 t17=t13*int_v_list002[0]; in i2300eAB()
88 t18=t3*t17; in i2300eAB()
101 t21=t4*t17; in i2300eAB()
124 t2=t8*t17; in i2300eAB()
126 t8=t13*t17; in i2300eAB()
H A Di2301.cc20 double t17; in i2301() local
115 t17=t16+t12; in i2301()
116 t12=t5*t17; in i2301()
125 t20=t2*t17; in i2301()
479 t42=t17+t6; in i2301()
482 t15=t17+t6; in i2301()
485 t30=t17+t6; in i2301()
487 t17=t6+t42; in i2301()
493 t30=t6+t17; in i2301()
497 t42=t17+t6; in i2301()
[all …]
H A Di3301.cc20 double t17; in i3301() local
115 t17=t16+t12; in i3301()
116 t12=t5*t17; in i3301()
125 t20=t2*t17; in i3301()
463 t42=t17+t6; in i3301()
466 t15=t17+t6; in i3301()
469 t30=t17+t6; in i3301()
471 t17=t6+t42; in i3301()
476 t30=t6+t17; in i3301()
480 t42=t17+t6; in i3301()
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/
H A Dnwxcm_x_dldf.F132 1 0146d-1*t17*t18*t8-3.2246206206851474d+0*t14*t17*t7-2.487
253 1 146d-1*t17*t18*t8-3.2246206206851474d+0*t14*t17*t7-2.4879
254 2 069649189497d+0*t15*t17-1.4754769541349888d+1*t12*t13*t17
291 1 146d-1*t17*t18*t8-3.2246206206851474d+0*t14*t17*t7-2.4879
292 2 069649189497d+0*t15*t17-1.4754769541349888d+1*t12*t13*t17
437 1 t14*t17*t7-2.4879069649189497d+0*t15*t17-1.47547695413498
438 2 88d+1*t12*t13*t17+1.9966796007371967d+1*t10*t11*t17
492 1 195820146d+0*t17*t29*t8+7.191756064814014d+1*t12*t17*t7-1
494 3 4*t17-3.127215879613249d+1*t10*t13*t17)-9.305257363490997
714 2 88d+1*t12*t13*t17+1.9966796007371967d+1*t10*t11*t17
[all …]
H A Dnwxcm_x_camlsd.F157 t17 = rhob**1.3333333333333333d+0
170 t29 = 1/t17
364 t17 = 5.641895835477563d-1
410 t17 = rhob**1.3333333333333333d+0
431 t34 = 1/t17
489 t17 = 5.641895835477563d-1
530 t17 = 5.641895835477563d-1
682 t17 = 5.641895835477563d-1
769 t34 = 1/t17
865 t17 = 5.641895835477563d-1
[all …]
H A Dnwxcm_c_bop.F186 t35 = -t1*t16*t17*t33*t34*t8*t9+t1*t16*t17*t19*t32*t9+3.3333
198 t44 = -t1*t16*t17*t34*t43*t8*t9+t1*t17*t19*t42*t8*t9+3.33333
202 t46 = t1*t16*t17*t19*t45*t9-t1*t16*t17*t27*t34*t45*t8
208 1 16*t17*t33*t34*t8*t9+1.5214d+0*t1*t16*t17*t19*t32*t9+5.07
216 1 16*t17*t34*t43*t8*t9+1.5214d+0*t1*t17*t19*t42*t8*t9+5.071
224 1 6*t17*t19*t46*t8*t9+1.1284000000000001d+0*t1*t16*t17*t19*
561 t38 = -t1*t16*t17*t36*t37*t8*t9+t1*t16*t17*t19*t35*t9+3.3333
595 t61 = t1*t16*t17*t19*t59*t9-t1*t16*t17*t27*t37*t59*t8
689 1 +t1*t100*t16*t17*t19*t9-t1*t100*t16*t17*t27*t37*t8
1715 t67 = 8.4d-3*t16*t17-8.4d-3*gammabb*t17*t52*t66
[all …]
H A Dnwxcm_c_perdew81.F376 t18 = 2.0d+0*t17*wght
448 t39 = 1.923661050931536d+0*t17*t38+t29+t25+t23
517 t17 = 1/t10**2
564 t17 = 1/t10**2
728 t21 = t20*t9+1.423d-1*t17*t18*t4
731 t24 = -2.846d-1*t17**2*t23*t4
747 t35 = 8.538000000000001d-1*t17**3*t4/t7**4
748 t36 = -8.538000000000001d-1*t17*t23*t27*t4
759 3 t14)*t4/t31**2-1.423d-1*t17*t18*t4
968 t17 = 1/t10**2
[all …]
H A Dnwxcm_x_campbe.F183 2 *t12*t14*t17*t31+t17*t31-3.536776513153214d-2*t12*t14*t18
227 t17 = 1/t14
360 2 t12*t14*t17*t31+t17*t31-3.536776513153214d-2*t12*t14*t18*
419 2 t12*t14*t17*t31+t17*t31-3.536776513153214d-2*t12*t14*t18*
655 1 3d+1*t15*t17*t34*t54+5.654866776461652d+1*rhoa*t17*t30*t3
662 1 6d-1*t17*t27*t30*t4*t42*t56+4.3293907300401946d-1*t17*t27
986 = 09*t15*t17*t21-3.536776513153214d-2*t110*t13*t15*t17*t20+
1143 1 3d+1*t15*t17*t34*t54+5.654866776461652d+1*rhoa*t17*t30*t3
1150 1 6d-1*t17*t27*t30*t4*t42*t56+4.3293907300401946d-1*t17*t27
1301 1 3d+1*t15*t17*t34*t54+5.654866776461652d+1*rhob*t17*t30*t3
[all …]
H A Dnwxcm_x_b88.F127 t17 = 1/(gammabb*t16+1)**5.0d-1
280 t17 = 1/t8**3
334 t17 = 1/t4**2
356 1 *gammaaa*t16*t17*t2)*wght+Amat(iq,D1_RA)
369 5 11*t16*t17)*wght+Amat2(iq,D2_RA_RA)
423 t17 = 1/t8**3
463 t17 = 1/t8**3
594 t17 = 1/t4**3
707 t17 = 1/t4**2
911 t17 = 1/t4**3
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/
H A Dgga_x_lb.c51 t17 = 0.1e1 / t11 / rho[0]; in func_unpol()
52 t18 = t15 * t17; in func_unpol()
60 t29 = t17 * t28; in func_unpol()
100 t98 = t88 * t17; in func_unpol()
154 t233 = t215 * t17; in func_unpol()
197 t466 = t446 * t17; in func_unpol()
334 t173 = t17 * t21; in func_ferr()
476 t17 = POW_1_3(t9); in func_pol()
485 t30 = t17 * t17; in func_pol()
604 t224 = t144 * t17; in func_pol()
[all …]

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