/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
H A D | nwxcm_c_pbeop.F | 112 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 …]
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H A D | nwxcm_x_dldf.F | 132 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 …]
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H A D | nwxcm_x_camlsd.F | 157 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 …]
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H A D | nwxcm_c_bop.F | 186 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 …]
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H A D | nwxcm_c_perdew81.F | 376 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 …]
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H A D | nwxcm_x_campbe.F | 183 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 …]
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H A D | nwxcm_x_b88.F | 127 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 …]
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/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
H A D | i0202.cc | 20 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 …]
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H A D | i2222.cc | 20 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 …]
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H A D | i1222.cc | 20 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 …]
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H A D | i1212.cc | 20 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 …]
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H A D | i0212.cc | 20 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 …]
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H A D | i0300AB.cc | 20 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 …]
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H A D | i1300AB.cc | 20 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 …]
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H A D | i0222.cc | 20 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 …]
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H A D | i2300AB.cc | 20 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()
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H A D | i2301.cc | 20 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 …]
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H A D | i3301.cc | 20 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
H A D | nwxcm_x_dldf.F | 132 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 …]
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H A D | nwxcm_x_camlsd.F | 157 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 …]
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H A D | nwxcm_c_bop.F | 186 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 …]
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H A D | nwxcm_c_perdew81.F | 376 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 …]
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H A D | nwxcm_x_campbe.F | 183 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 …]
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H A D | nwxcm_x_b88.F | 127 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 …]
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/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
H A D | gga_x_lb.c | 51 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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