/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
H A D | gga_x_hjs.c | 3991 t6013 = t562 * t965 * t357; in func_ferr() 8257 t6013 = t487 * t857; in func_pol() 8258 t6015 = t827 * t6013 * t2102; in func_pol() 8625 t6907 = t827 * t6013 * t2771; in func_pol() 9076 t8141 = t827 * t6013 * t3267; in func_pol() 10053 t11256 = t827 * t6013 * t3915; in func_pol() 10319 t12103 = t827 * t6013 * t4243; in func_pol() 10976 t14425 = t827 * t6013 * t4747; in func_pol() 11782 t17065 = t818 * t6013 * t6059; in func_pol() 11787 t17081 = t827 * t6013 * t6033; in func_pol() [all …]
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H A D | gga_c_op_pbe.c | 900 double t5991, t5993, t5995, t5997, t6011, t6013, t6017, t6019; in func_pol() local 3298 t6013 = t292 * t1698; in func_pol() 3311 …t6089 = -0.15000000000000000000e1 * t350 * t6013 * t121 - 0.54288876900000000000e1 * t6017 - 0.300… in func_pol() 3469 …0000000000000e0 * t350 * t2048 * t312 - 0.50000000000000000000e0 * t350 * t6013 * t160 - 0.1809629… in func_pol() 3997 …t9849 = -0.20000000000000000000e1 * t9801 - 0.50000000000000000000e0 * t350 * t6013 * t191 + t9807… in func_pol()
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H A D | gga_x_beefvdw.c | 1786 double t5980, t5996, t6000, t6008, t6009, t6011, t6013, t6015; in func_pol() local 3593 t6013 = 0.4e1 / 0.9e1 * t6011 * t2651; in func_pol() 3598 …/ 0.3e1 - t5491 / 0.2e1 - 0.4e1 / 0.3e1 * t5494 - 0.2e1 / 0.9e1 * t6009 - t6013 + t6016 / 0.6e1 - … in func_pol() 3615 …v4rho3sigma[6] = -0.4e1 / 0.9e1 * t6009 - t6013 - t6029 - 0.4e1 / 0.3e1 * t6016 - 0.2e1 / 0.9e1 * … in func_pol()
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H A D | gga_xc_b97.c | 1918 double t6003, t6007, t6008, t6010, t6013, t6018, t6024, t6027; in func_pol() local 5240 t6013 = t2263 * t470; in func_pol() 5243 …000000000000000000e1 * t1067 * t6010 + 0.96494049533612093922e2 * t4166 * t6013 + 0.20000000000000… in func_pol() 7725 …217 - 0.57896429720167256353e3 * t3446 * t2263 * t1055 + 0.19298809906722418785e3 * t10831 * t6013; in func_pol() 7744 …0000000000e1 * t1295 * t778 * t5224 + 0.19298809906722418785e3 * t10836 * t6013 - 0.60000000000000… in func_pol() 7853 …00000000000000000e1 * t5008 * t2362 + 0.28948214860083628176e3 * t12646 * t6013 - 0.96494049533612… in func_pol() 7877 …00000000000000000e1 * t5390 * t6018 + 0.28948214860083628176e3 * t12838 * t6013 + t10160 - t10163 … in func_pol()
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H A D | gga_x_chachiyo.c | 1469 double t5995, t6001, t6002, t6006, t6013, t6023, t6035, t6055; in func_pol() local 4621 t6013 = t5753 * t521 * t34; in func_pol() 4623 …t184 * t34 - 0.1024e4 / 0.19683e5 * t572 * t5995 * t6013 - 0.512e3 / 0.19683e5 * t572 * t6002 * t6… in func_pol()
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H A D | gga_c_pbe.c | 1650 double t5991, t6001, t6006, t6007, t6011, t6012, t6013, t6017; in func_pol() local 4562 t6013 = t6011 * t6012; in func_pol() 4565 ….3e1 / 0.512e3 * t824 * t4112 * t6007 - 0.3e1 / 0.512e3 * t2250 * t4112 * t6013 + 0.5e1 / 0.128e3 … in func_pol() 4589 …12 - 0.3e1 * t309 * t2301 * t280 - t309 * t365 * t1703 - 0.18e2 * t6231 * t6013 - 0.6e1 * t1835 * … in func_pol()
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H A D | gga_c_revtca.c | 1391 double t6006, t6007, t6008, t6010, t6013, t6014, t6015, t6016; in func_pol() local 4440 t6013 = t191 * t192 * t1537 * t590; in func_pol() 4441 t6014 = 0.24e2 * t6013; in func_pol() 4716 t6777 = 0.8e1 * t6013; in func_pol()
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H A D | gga_c_regtpss.c | 2562 double t6000, t6003, t6006, t6008, t6009, t6012, t6013, t6017; in func_pol() local 6171 t6013 = t5923 * t6012; in func_pol() 6172 …135921299530705785e1 * t6009 * t5527 - 0.11284773892084171652e1 * t5920 * t6013 + 0.29387432010635… in func_pol() 10307 …90101722425968e-2 * t22262 - t22565 - 0.11284773892084171652e1 * t22101 * t6013 - 0.88162296031907… in func_pol() 10425 …t22968 = -0.11284773892084171652e1 * t22675 * t6013 - 0.44624795050861212984e-2 * t22741 - 0.51407… in func_pol()
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H A D | gga_c_acgga.c | 2847 double t6010, t6011, t6013, t6014, t6015, t6018, t6019, t6021; in func_pol() local 6887 t6013 = t910 * t98; in func_pol() 6888 t6014 = t6013 * t327; in func_pol() 7104 t6532 = t6013 * t777; in func_pol() 10341 t21427 = t6013 * t767; in func_pol() 10573 t21985 = t6013 * t792; in func_pol() 11213 t24097 = t6013 * t2897 * t1286; in func_pol()
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H A D | gga_x_wpbeh.c | 293 double t5997, t6004, t6007, t6012, t6013, t6016, t6023, t6030; in func_unpol() local 2891 t6013 = t1500 * t803; in func_unpol() 2896 …t6040 = -0.44284387171319454597e1 * t4679 * t6013 + t97 * t6016 / 0.4e1 - 0.93027173969241974796e0… in func_unpol() 2923 …t6013 + 0.13004522586396832422e4 * t6114 + 0.65022612931984162108e3 * t6116 + 0.100821516374592e0 … in func_unpol() 2968 …402 - 0.10491264061509704740e3 * t147 * t5231 + 0.945e3 / 0.8e1 * t4347 * t6013 + 0.315e3 / 0.2e1 … in func_unpol() 2994 …t6564 = 0.45e2 / 0.8e1 * t4441 * t6013 + 0.45e2 / 0.2e1 * t4444 * t2467 + 0.45e2 / 0.2e1 * t1626 *… in func_unpol() 3001 …805720000000000000e0 * t2637 * t4702 + 0.19049524177627558402e1 * t4192 * t6013 - 0.91579568734894… in func_unpol() 3034 …1788 * t6118 + 0.4e1 * t1788 * t6149 - 0.4e1 * t6736 * t390 - 0.6e1 * t4263 * t6013 - t459 * t5231; in func_unpol() 4582 …* t13487 + 0.945e3 / 0.4e1 * t1505 * t13800 + 0.2835e4 / 0.8e1 * t11300 * t6013 + 0.2835e4 / 0.8e1… in func_unpol() 4606 …2 * t14095 + 0.58520351638785745896e4 * t14142 * t13793 + 0.87780527458178618846e4 * t4736 * t6013; in func_unpol() [all …]
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H A D | gga_c_acggap.c | 4207 double t6010, t6013, t6014, t6016, t6019, t6021, t6023, t6025; in func_pol() local 9111 …t6013 = 0.6e1 * t1366 * t498 + 0.60e2 * t1372 * t5998 - 0.24e2 * t1372 * t6001 - 0.12e2 * t1372 * … in func_pol() 9112 t6014 = t6013 * t148; in func_pol() 14102 t19765 = t171 * t6013; in func_pol() 14181 t20222 = t165 * t6013; in func_pol() 14395 t21474 = t419 * t6013; in func_pol() 15253 …806534796e1 * t27849 + 0.39512695097613069591e1 * t1495 * t1596 * t1083 * t6013 - 0.19756347548806… in func_pol() 19226 …5871023197e1 * t36136 + 0.43368140941025997310e0 * t2096 * t2102 * t586 * t6013 * t148 - t36141 - … in func_pol() 19308 …2820797848e1 * t41084 + 0.43368140941025997310e0 * t2096 * t2102 * t610 * t6013 * t148 + 0.1734725… in func_pol()
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H A D | gga_x_gg99.c | 3763 double t6013, t6014, t6015, t6017, t6019, t6021, t6026, t6028; in func_pol() local 7374 t6013 = 0.2e1 / 0.3e1 * t1313 * t6011; in func_pol() 7464 …t6340 = -t5998 - t6000 - t6005 - t6009 + t6013 + t6019 - t6021 - t6304 + t6308 + t6310 + t6312 - t… in func_pol() 9415 t18973 = -t5998 - t6000 - t6005 - t6009 + t6013 + t6019 - t6021 - t6304 + t6308 + t6310; in func_pol()
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H A D | gga_c_zvpbeint.c | 2547 double t6003, t6007, t6008, t6010, t6011, t6012, t6013, t6014; in func_pol() local 6810 t6013 = t1384 * t1681; in func_pol() 6811 t6014 = 0.3e1 / 0.32e2 * t6013; in func_pol() 6835 t6029 = 0.9e1 / 0.16e2 * t6013; in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_x_tpss.c | 1906 double t5971, t5991, t5997, t6003, t6006, t6012, t6013, t6015; in func_ferr() local 3269 t6013 = t417 * t6012; in func_ferr() 3272 … t6006 - 0.675e3 / 0.512e3 * t1030 * t736 * t2082 + 0.1125e4 / 0.8192e4 * t6013 * t6015 * t35 * t6… in func_ferr() 3285 …t822 * t6086 - 0.675e3 / 0.1024e4 * t6090 * t2082 - 0.1125e4 / 0.1024e4 * t6013 * t3116 * t35 * t6… in func_ferr() 3302 …t6090 * t2328 - 0.225e3 / 0.1024e4 * t6344 * t2082 + 0.1125e4 / 0.128e3 * t6013 * t4232 * t35 * t6… in func_ferr() 3321 … * t6344 * t2328 - 0.675e3 / 0.16e2 * t5066 * t2331 - 0.1125e4 / 0.16e2 * t6013 * t5247 * t35 * t6… in func_ferr() 3349 …e2 * t2539 * t6770 - 0.675e3 / 0.8e1 * t6344 * t2436 + 0.1125e4 / 0.2e1 * t6013 * t2512 * t35 * t6… in func_ferr() 3665 double t5982, t5986, t5996, t5999, t6004, t6006, t6009, t6013; in func_pol() local 6674 t6013 = t771 * t116; in func_pol() 7355 …79 * t1612 / 0.16e2 - t2065 * t1612 / 0.16e2 - 0.9e1 / 0.1024e4 * t2092 * t6013 * t1921 + 0.81e2 /… in func_pol() [all …]
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H A D | mgga_x_task.c | 164 double t5989, t5997, t6013, t6110, t6126, t6173, t6182, t6197; in func_unpol() local 1411 …t6013 = 0.1174e1 * t5881 + 0.4e1 * t2063 * t236 * t107 + 0.4e1 * t226 * t2010 * t107 + t88 * (0.18… in func_unpol() 1413 v4sigma4[0] = -0.3e1 / 0.16e2 * t116 * t117 * (t5903 + t6013); in func_unpol() 3292 double t5951, t5966, t5995, t6001, t6004, t6009, t6013, t6019; in func_pol() local 6252 t6013 = 0.10e2 / 0.27e2 * t8 * t16 * t2179 * t115; in func_pol() 6257 …* t18 * (t5834 + t5995) - 0.5e1 / 0.9e1 * t6001 + t6004 / 0.2e1 + t6009 + t6013 + 0.4e1 / 0.9e1 * … in func_pol() 6316 …t6279 = t6013 - t8 * t6253 * t220 / 0.2e1 - t8 * t309 * t407 * t2075 / 0.2e1 - t8 * t214 * t2058 *… in func_pol() 6344 ….5e1 / 0.18e2 * t6246 - 0.5e1 / 0.18e2 * t6001 + t6004 / 0.12e2 + t6009 + t6013 - 0.10e2 / 0.27e2 … in func_pol() 6379 …0.5e1 / 0.12e2 * t6246 - t6655 / 0.8e1 - 0.5e1 / 0.36e2 * t6001 + t6009 + t6013 - 0.5e1 / 0.9e1 * … in func_pol() 6437 …6 - 0.3e1 / 0.8e1 * t8 * t122 * (t6894 + t7098) - t6655 / 0.2e1 + t6009 + t6013 - t8 * t772 * t100… in func_pol()
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H A D | mgga_x_m08.c | 2852 double t6008, t6013, t6014, t6017, t6018, t6023, t6024, t6033; in func_pol() local 4985 t6013 = t3690 * t5954; in func_pol() 4986 t6014 = t6013 * tau[1]; in func_pol() 6859 …6007 + 0.30e2 * t176 * t6017 + 0.120e3 * t181 * t6023 + 0.8580e4 * t226 * t6013 + 0.1050e4 * t3714… in func_pol() 6876 …5 + 0.2520e4 * t248 * t6053 + 0.6600e4 * t254 * t6003 + 0.8580e4 * t256 * t6013 + 0.1200e4 * t583 … in func_pol()
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H A D | mgga_x_rtpss.c | 3141 double t5978, t5985, t5992, t6001, t6004, t6005, t6011, t6013; in func_pol() local 6099 t6013 = t2250 * t859; in func_pol() 6108 …/ 0.9e1 * t6004 * t2249 * t6005 + 0.2e1 / 0.9e1 * t6011 + t2248 * t2249 * t6013 / 0.3e1 - 0.2e1 / … in func_pol() 6283 …* t2814 * t2223 / 0.2e1 + 0.2e1 / 0.9e1 * t7092 + t7095 + t2813 * t2814 * t6013 / 0.6e1 - t7099 * … in func_pol() 6458 …9 * t383 * t859 / 0.9e1 - t2831 * t3242 * t2223 / 0.2e1 - t2813 * t3242 * t6013 / 0.6e1 + t7099 * … in func_pol()
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H A D | mgga_x_m11.c | 3108 double t6009, t6011, t6013, t6015, t6017, t6019, t6021, t6023; in func_pol() local 5664 t6013 = t2581 * t608; in func_pol() 5665 t6015 = t606 * t607 * t6013; in func_pol() 7959 …t15293 = t14464 / 0.27e2 - t606 * t1869 * t6013 - t14469 / 0.4e1 - 0.3e1 / 0.8e1 * t8 * t18 * (t14… in func_pol() 7966 t15358 = t606 * t1211 * t6013; in func_pol() 8191 …448 - t606 * t607 * t7390 * t608 / 0.2e1 - 0.3e1 / 0.2e1 * t606 * t2209 * t6013 - t17228 / 0.2e1 -… in func_pol()
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H A D | mgga_x_mbrxh_bg.c | 291 double t6009, t6012, t6013, t6014, t6017, t6019, t6026, t6029; in func_unpol() local 2848 t6013 = t231 * t6012; in func_unpol() 2849 t6014 = t346 * t6013; in func_unpol() 2851 t6019 = t355 * t6013; in func_unpol() 2852 t6026 = t1405 * t6013; in func_unpol() 3004 t6531 = t1444 * t6013; in func_unpol() 3007 t6541 = t364 * t6013; in func_unpol() 3038 t6692 = t786 * t6013; in func_unpol() 8542 t6013 = t913 * t5669; in func_ferr() 18479 t6013 = t875 * t6012; in func_pol() [all …]
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H A D | mgga_c_scan.c | 3808 double t6013, t6014, t6016, t6017, t6018, t6019, t6020, t6021; in func_pol() local 8476 t6013 = t1743 * t6012; in func_pol() 8477 t6014 = 0.69504740211613770831e-4 * t6013; in func_pol() 8601 t6214 = 0.13900948042322754166e-3 * t6013; in func_pol() 8757 t6525 = 0.27801896084645508332e-3 * t6013; in func_pol() 14378 …t21792 = -0.12974218172834570555e-1 * t5997 + t20177 + 0.55603792169291016664e-3 * t6013 + t8 * (t… in func_pol() 14544 … t18878 - 0.97306636296259279163e-2 * t5997 + 0.41702844126968262498e-3 * t6013 + 0.74147656857749… in func_pol() 14625 … t18913 - 0.19461327259251855832e-1 * t5997 + 0.83405688253936524996e-3 * t6013 + t8 * (t22436 + t… in func_pol()
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H A D | mgga_x_mn12.c | 3782 double t6012, t6013, t6014, t6017, t6022, t6023, t6038, t6039; in func_pol() local 6053 t6013 = t1479 * t9; in func_pol() 6054 t6014 = t6013 * t377; in func_pol() 8236 …9999999998e1 * t6012 * t6002 * t1474 + 0.15999999999999999999e1 * t6012 * t6013 * t1484 + 0.266666… in func_pol() 8443 …9999999998e0 * t2175 * t2176 * t6544 + 0.16000000000000000000e1 * t6012 * t6013 * t2393 + 0.266666… in func_pol()
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H A D | mgga_c_bc95.c | 2428 double t6012, t6013, t6014, t6015, t6016, t6017, t6018, t6019; in func_pol() local 6652 t6013 = t116 * t635; in func_pol() 6653 t6014 = t6013 * t639; in func_pol() 10086 …5 * t2801 * t5976 - 0.128e3 * t11279 * t6014 + 0.1408e4 / 0.3e1 * t3804 * t6013 * t2850 - 0.335041… in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_x_erf.c | 605 double t6006, t6008, t6009, t6010, t6013, t6016, t6035, t6036; in func_pol() local 2533 t6013 = t174 * t1602 * t2402; in func_pol() 2559 …e2 * t4435 + 0.40e2 / 0.81e2 * t4504 + t4441 / 0.27e2 + 0.10e2 / 0.81e2 * t6013 - 0.5e1 / 0.27e2 *… in func_pol() 2721 …0.200e3 / 0.729e3 * t6005 + 0.40e2 / 0.243e3 * t6008 + 0.20e2 / 0.243e3 * t6013 - 0.4e1 / 0.81e2 *… in func_pol()
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H A D | lda_xc_bn05.c | 1019 double t6007, t6011, t6013, t6015, t6020, t6021, t6025, t6036; in func_pol() local 3348 t6013 = t2123 * t2317; in func_pol() 3353 ….27e2 * t661 * t6007 * t798 + 0.40e2 / 0.81e2 * t6011 + 0.40e2 / 0.81e2 * t6013 - 0.8e1 / 0.27e2 *… in func_pol() 3487 …t6727 = 0.16e2 / 0.27e2 * t6708 + 0.10e2 / 0.81e2 * t6011 + 0.10e2 / 0.81e2 * t6013 - 0.2e1 / 0.27… in func_pol()
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H A D | lda_c_pmgb06.c | 1667 double t6013, t6014, t6015, t6016, t6017, t6019, t6020, t6021; in func_pol() local 5586 t6013 = 0.2e1 / 0.45e2 * t1761 * t6011; in func_pol() 5587 …69 + t5972 - t5976 + t5980 + t5984 + t5988 - t5991 + t5994 + t5998 + t6001 - t6006 - t6009 + t6013; in func_pol() 5958 …t6694 = -t5976 + t5980 + t5984 + t5988 - t5991 + t5994 + t5998 + t6001 - t6006 - t6009 + t6013 - t… in func_pol()
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