/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/max/ |
H A D | nwxcm_x_m08.max | 156 F000196(rhob,taub):= F000194(rhob,taub)/F000195(rhob,taub); 157 F000197(rhob,taub):= F000196(rhob,taub)*F000196(rhob,taub); 158 F000198(rhob,taub):= F000196(rhob,taub)*F000197(rhob,taub); 159 F000199(rhob,taub):= F000196(rhob,taub)*F000198(rhob,taub); 160 F000200(rhob,taub):= F000196(rhob,taub)*F000199(rhob,taub); 161 F000201(rhob,taub):= F000196(rhob,taub)*F000200(rhob,taub); 162 F000202(rhob,taub):= F000196(rhob,taub)*F000201(rhob,taub); 163 F000203(rhob,taub):= F000196(rhob,taub)*F000202(rhob,taub); 164 F000204(rhob,taub):= F000196(rhob,taub)*F000203(rhob,taub); 165 F000205(rhob,taub):= F000196(rhob,taub)*F000204(rhob,taub); [all …]
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H A D | nwxcm_x_m11.max | 183 F000223(rhob,taub):= F000221(rhob,taub)/F000222(rhob,taub); 184 F000224(rhob,taub):= F000223(rhob,taub)*F000223(rhob,taub); 185 F000225(rhob,taub):= F000223(rhob,taub)*F000224(rhob,taub); 186 F000226(rhob,taub):= F000223(rhob,taub)*F000225(rhob,taub); 187 F000227(rhob,taub):= F000223(rhob,taub)*F000226(rhob,taub); 188 F000228(rhob,taub):= F000223(rhob,taub)*F000227(rhob,taub); 189 F000229(rhob,taub):= F000223(rhob,taub)*F000228(rhob,taub); 190 F000230(rhob,taub):= F000223(rhob,taub)*F000229(rhob,taub); 191 F000231(rhob,taub):= F000223(rhob,taub)*F000230(rhob,taub); 192 F000232(rhob,taub):= F000223(rhob,taub)*F000231(rhob,taub); [all …]
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H A D | nwxcm_x_m06.max | 149 F000153(rhob,taub):= F000151(rhob,taub)/F000152(rhob,taub); 150 F000154(rhob,taub):= F000153(rhob,taub)*F000153(rhob,taub); 151 F000155(rhob,taub):= F000153(rhob,taub)*F000154(rhob,taub); 152 F000156(rhob,taub):= F000153(rhob,taub)*F000155(rhob,taub); 153 F000157(rhob,taub):= F000153(rhob,taub)*F000156(rhob,taub); 154 F000158(rhob,taub):= F000153(rhob,taub)*F000157(rhob,taub); 155 F000159(rhob,taub):= F000153(rhob,taub)*F000158(rhob,taub); 156 F000160(rhob,taub):= F000153(rhob,taub)*F000159(rhob,taub); 157 F000161(rhob,taub):= F000153(rhob,taub)*F000160(rhob,taub); 158 F000162(rhob,taub):= F000153(rhob,taub)*F000161(rhob,taub); [all …]
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H A D | nwxcm_c_m11.max | 8 F000030(taua,taub):= taua+taub; 161 F000159(rhoa,rhob,taua,taub):= F000157(rhoa,rhob,taua,taub)/F000158(rhoa,rhob,taua,taub); 164 F000162(rhoa,rhob,taua,taub):= F000159(rhoa,rhob,taua,taub)*F000161(rhoa,rhob,taua,taub); 166 F000164(rhoa,rhob,taua,taub):= F000159(rhoa,rhob,taua,taub)*F000163(rhoa,rhob,taua,taub); 168 F000166(rhoa,rhob,taua,taub):= F000159(rhoa,rhob,taua,taub)*F000165(rhoa,rhob,taua,taub); 170 F000168(rhoa,rhob,taua,taub):= F000159(rhoa,rhob,taua,taub)*F000167(rhoa,rhob,taua,taub); 172 F000170(rhoa,rhob,taua,taub):= F000159(rhoa,rhob,taua,taub)*F000169(rhoa,rhob,taua,taub); 174 F000172(rhoa,rhob,taua,taub):= F000159(rhoa,rhob,taua,taub)*F000171(rhoa,rhob,taua,taub); 176 F000174(rhoa,rhob,taua,taub):= F000159(rhoa,rhob,taua,taub)*F000173(rhoa,rhob,taua,taub); 178 F000176(rhoa,rhob,taua,taub):= F000159(rhoa,rhob,taua,taub)*F000175(rhoa,rhob,taua,taub); [all …]
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H A D | nwxcm_x_m05.max | 78 F000081(rhob,taub):= F000079(rhob,taub)/F000080(rhob,taub); 79 F000082(rhob,taub):= F000081(rhob,taub)*F000081(rhob,taub); 80 F000083(rhob,taub):= F000081(rhob,taub)*F000082(rhob,taub); 81 F000084(rhob,taub):= F000081(rhob,taub)*F000083(rhob,taub); 82 F000085(rhob,taub):= F000081(rhob,taub)*F000084(rhob,taub); 83 F000086(rhob,taub):= F000081(rhob,taub)*F000085(rhob,taub); 84 F000087(rhob,taub):= F000081(rhob,taub)*F000086(rhob,taub); 85 F000088(rhob,taub):= F000081(rhob,taub)*F000087(rhob,taub); 86 F000089(rhob,taub):= F000081(rhob,taub)*F000088(rhob,taub); 87 F000090(rhob,taub):= F000081(rhob,taub)*F000089(rhob,taub); [all …]
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H A D | nwxcm_x_dldf.max | 78 F000070(rhob,taub):= F000068(rhob,taub)/F000069(rhob,taub); 79 F000071(rhob,taub):= F000070(rhob,taub)*F000070(rhob,taub); 80 F000072(rhob,taub):= F000070(rhob,taub)*F000071(rhob,taub); 81 F000073(rhob,taub):= F000070(rhob,taub)*F000072(rhob,taub); 82 F000074(rhob,taub):= F000070(rhob,taub)*F000073(rhob,taub); 83 F000075(rhob,taub):= F000070(rhob,taub)*F000074(rhob,taub); 84 F000076(rhob,taub):= F000070(rhob,taub)*F000075(rhob,taub); 85 F000077(rhob,taub):= F000070(rhob,taub)*F000076(rhob,taub); 86 F000078(rhob,taub):= F000070(rhob,taub)*F000077(rhob,taub); 87 F000079(rhob,taub):= F000070(rhob,taub)*F000078(rhob,taub); [all …]
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H A D | nwxcm_x_m06_2x.max | 78 F000082(rhob,taub):= F000080(rhob,taub)/F000081(rhob,taub); 79 F000083(rhob,taub):= F000082(rhob,taub)*F000082(rhob,taub); 80 F000084(rhob,taub):= F000082(rhob,taub)*F000083(rhob,taub); 81 F000085(rhob,taub):= F000082(rhob,taub)*F000084(rhob,taub); 82 F000086(rhob,taub):= F000082(rhob,taub)*F000085(rhob,taub); 83 F000087(rhob,taub):= F000082(rhob,taub)*F000086(rhob,taub); 84 F000088(rhob,taub):= F000082(rhob,taub)*F000087(rhob,taub); 85 F000089(rhob,taub):= F000082(rhob,taub)*F000088(rhob,taub); 86 F000090(rhob,taub):= F000082(rhob,taub)*F000089(rhob,taub); 87 F000091(rhob,taub):= F000082(rhob,taub)*F000090(rhob,taub); [all …]
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H A D | nwxcm_x_vs98.max | 48 F000046(taub):= 0.2000000000000000E+01*taub; 50 F000048(rhob,taub):= F000046(taub)/F000044(rhob); 57 F000055(rhob,sigmabb,taub):= F000049(rhob,taub)/F000053(rhob,sigmabb,taub); 61 F000059(rhob,sigmabb,taub):= F000057(rhob,sigmabb,taub)+F000058(rhob,sigmabb,taub); 63 F000061(rhob,sigmabb,taub):= F000060(rhob,sigmabb,taub)*F000054(rhob,sigmabb,taub); 64 F000062(rhob,sigmabb,taub):= F000059(rhob,sigmabb,taub)+F000061(rhob,sigmabb,taub); 66 F000064(rhob,sigmabb,taub):= F000063(rhob,sigmabb,taub)*F000054(rhob,sigmabb,taub); 67 F000065(rhob,sigmabb,taub):= F000062(rhob,sigmabb,taub)+F000064(rhob,sigmabb,taub); 69 F000067(rhob,sigmabb,taub):= F000066(rhob,sigmabb,taub)*F000055(rhob,sigmabb,taub); 70 F000068(rhob,sigmabb,taub):= F000065(rhob,sigmabb,taub)+F000067(rhob,sigmabb,taub); [all …]
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H A D | nwxcm_x_tpss03.max | 102 F000090(taub):= taub*0.2000000000000000E+01; 113 F000099(rhob,sigmabb,taub):= F000092(rhob,sigmabb)/F000090(taub); 122 F000106(rhob,sigmabb,taub):= F000104(rhob,sigmabb,taub)*F000105(rhob,sigmabb,taub); 125 F000109(rhob,sigmabb,taub):= F000103(rhob,sigmabb,taub)/F000108(rhob,sigmabb,taub); 133 F000117(rhob,sigmabb,taub):= F000113(rhob,sigmabb,taub)/F000116(rhob,sigmabb,taub); 137 F000121(rhob,sigmabb,taub):= F000120(rhob,sigmabb,taub)*F000111(rhob,sigmabb,taub); 146 F000130(rhob,sigmabb,taub):= F000122(rhob,sigmabb,taub)*F000129(rhob,sigmabb,taub); 159 F000143(rhob,sigmabb,taub):= F000119(rhob,sigmabb,taub)+F000121(rhob,sigmabb,taub); 160 F000144(rhob,sigmabb,taub):= F000143(rhob,sigmabb,taub)+F000130(rhob,sigmabb,taub); 162 F000146(rhob,sigmabb,taub):= F000145(rhob,sigmabb,taub)+F000136(rhob,sigmabb,taub); [all …]
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H A D | nwxcm_c_pkzb99.max | 22 F000149(taua,taub):= taua+taub; 34 F000155(rhoa,rhob,sigmaaa,sigmabb,taua,taub):= F000154(rhoa,rhob,sigmaaa,sigmabb)/F000149(taua,taub… 35 …a,rhob,sigmaaa,sigmabb,taua,taub):= F000155(rhoa,rhob,sigmaaa,sigmabb,taua,taub)*F000155(rhoa,rhob… 40 /* comp: taub.lt.0.1000000000000000E-17 42 F000159(rhob,sigmabb,taub):= F000153(rhob,sigmabb)/taub; 43 F000160(rhob,sigmabb,taub):= F000159(rhob,sigmabb,taub)*F000159(rhob,sigmabb,taub); 75 F000444(rhoa,rhob,sigmabb,taub):= F000443(rhoa,rhob)*F000160(rhob,sigmabb,taub); 76 F000445(rhoa,rhob,sigmabb,taub):= F000444(rhoa,rhob,sigmabb,taub)*F000441(rhob,sigmabb); 77 F000446(rhoa,rhob,sigmabb,taub):= -(F000445(rhoa,rhob,sigmabb,taub)); 78 …b,sigmaaa,sigmaab,sigmabb,taua,taub):= F000305(rhoa,rhob,sigmaaa,sigmaab,sigmabb,taua,taub)+F00044… [all …]
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H A D | nwxcm_x_pkzb99.max | 59 F000051(taub):= 0.2000000000000000E+01*taub; 63 F000055(taub):= 0.3000000000000000E+01*F000051(taub); 64 F000056(taub):= F000055(taub)*0.5224234597046721E-01; 65 F000057(rhob,taub):= F000056(taub)/F000045(rhob); 66 F000058(rhob,taub):= F000057(rhob,taub)-0.4500000000000000E+00; 68 F000060(rhob,sigmabb,taub):= F000058(rhob,taub)-F000059(rhob,sigmabb); 71 F000063(rhob,sigmabb,taub):= F000062(rhob,sigmabb,taub)*F000060(rhob,sigmabb,taub); 72 F000064(rhob,sigmabb,taub):= F000061(rhob,sigmabb)+F000063(rhob,sigmabb,taub); 74 F000066(rhob,sigmabb,taub):= F000065(rhob,sigmabb,taub)*F000054(rhob,sigmabb); 75 F000067(rhob,sigmabb,taub):= F000064(rhob,sigmabb,taub)+F000066(rhob,sigmabb,taub); [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/max/ |
H A D | nwxcm_x_m08.max | 156 F000196(rhob,taub):= F000194(rhob,taub)/F000195(rhob,taub); 157 F000197(rhob,taub):= F000196(rhob,taub)*F000196(rhob,taub); 158 F000198(rhob,taub):= F000196(rhob,taub)*F000197(rhob,taub); 159 F000199(rhob,taub):= F000196(rhob,taub)*F000198(rhob,taub); 160 F000200(rhob,taub):= F000196(rhob,taub)*F000199(rhob,taub); 161 F000201(rhob,taub):= F000196(rhob,taub)*F000200(rhob,taub); 162 F000202(rhob,taub):= F000196(rhob,taub)*F000201(rhob,taub); 163 F000203(rhob,taub):= F000196(rhob,taub)*F000202(rhob,taub); 164 F000204(rhob,taub):= F000196(rhob,taub)*F000203(rhob,taub); 165 F000205(rhob,taub):= F000196(rhob,taub)*F000204(rhob,taub); [all …]
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H A D | nwxcm_x_m11.max | 183 F000223(rhob,taub):= F000221(rhob,taub)/F000222(rhob,taub); 184 F000224(rhob,taub):= F000223(rhob,taub)*F000223(rhob,taub); 185 F000225(rhob,taub):= F000223(rhob,taub)*F000224(rhob,taub); 186 F000226(rhob,taub):= F000223(rhob,taub)*F000225(rhob,taub); 187 F000227(rhob,taub):= F000223(rhob,taub)*F000226(rhob,taub); 188 F000228(rhob,taub):= F000223(rhob,taub)*F000227(rhob,taub); 189 F000229(rhob,taub):= F000223(rhob,taub)*F000228(rhob,taub); 190 F000230(rhob,taub):= F000223(rhob,taub)*F000229(rhob,taub); 191 F000231(rhob,taub):= F000223(rhob,taub)*F000230(rhob,taub); 192 F000232(rhob,taub):= F000223(rhob,taub)*F000231(rhob,taub); [all …]
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H A D | nwxcm_x_m06.max | 149 F000153(rhob,taub):= F000151(rhob,taub)/F000152(rhob,taub); 150 F000154(rhob,taub):= F000153(rhob,taub)*F000153(rhob,taub); 151 F000155(rhob,taub):= F000153(rhob,taub)*F000154(rhob,taub); 152 F000156(rhob,taub):= F000153(rhob,taub)*F000155(rhob,taub); 153 F000157(rhob,taub):= F000153(rhob,taub)*F000156(rhob,taub); 154 F000158(rhob,taub):= F000153(rhob,taub)*F000157(rhob,taub); 155 F000159(rhob,taub):= F000153(rhob,taub)*F000158(rhob,taub); 156 F000160(rhob,taub):= F000153(rhob,taub)*F000159(rhob,taub); 157 F000161(rhob,taub):= F000153(rhob,taub)*F000160(rhob,taub); 158 F000162(rhob,taub):= F000153(rhob,taub)*F000161(rhob,taub); [all …]
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H A D | nwxcm_c_m11.max | 8 F000030(taua,taub):= taua+taub; 161 F000159(rhoa,rhob,taua,taub):= F000157(rhoa,rhob,taua,taub)/F000158(rhoa,rhob,taua,taub); 164 F000162(rhoa,rhob,taua,taub):= F000159(rhoa,rhob,taua,taub)*F000161(rhoa,rhob,taua,taub); 166 F000164(rhoa,rhob,taua,taub):= F000159(rhoa,rhob,taua,taub)*F000163(rhoa,rhob,taua,taub); 168 F000166(rhoa,rhob,taua,taub):= F000159(rhoa,rhob,taua,taub)*F000165(rhoa,rhob,taua,taub); 170 F000168(rhoa,rhob,taua,taub):= F000159(rhoa,rhob,taua,taub)*F000167(rhoa,rhob,taua,taub); 172 F000170(rhoa,rhob,taua,taub):= F000159(rhoa,rhob,taua,taub)*F000169(rhoa,rhob,taua,taub); 174 F000172(rhoa,rhob,taua,taub):= F000159(rhoa,rhob,taua,taub)*F000171(rhoa,rhob,taua,taub); 176 F000174(rhoa,rhob,taua,taub):= F000159(rhoa,rhob,taua,taub)*F000173(rhoa,rhob,taua,taub); 178 F000176(rhoa,rhob,taua,taub):= F000159(rhoa,rhob,taua,taub)*F000175(rhoa,rhob,taua,taub); [all …]
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H A D | nwxcm_x_m05.max | 78 F000081(rhob,taub):= F000079(rhob,taub)/F000080(rhob,taub); 79 F000082(rhob,taub):= F000081(rhob,taub)*F000081(rhob,taub); 80 F000083(rhob,taub):= F000081(rhob,taub)*F000082(rhob,taub); 81 F000084(rhob,taub):= F000081(rhob,taub)*F000083(rhob,taub); 82 F000085(rhob,taub):= F000081(rhob,taub)*F000084(rhob,taub); 83 F000086(rhob,taub):= F000081(rhob,taub)*F000085(rhob,taub); 84 F000087(rhob,taub):= F000081(rhob,taub)*F000086(rhob,taub); 85 F000088(rhob,taub):= F000081(rhob,taub)*F000087(rhob,taub); 86 F000089(rhob,taub):= F000081(rhob,taub)*F000088(rhob,taub); 87 F000090(rhob,taub):= F000081(rhob,taub)*F000089(rhob,taub); [all …]
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H A D | nwxcm_x_dldf.max | 78 F000070(rhob,taub):= F000068(rhob,taub)/F000069(rhob,taub); 79 F000071(rhob,taub):= F000070(rhob,taub)*F000070(rhob,taub); 80 F000072(rhob,taub):= F000070(rhob,taub)*F000071(rhob,taub); 81 F000073(rhob,taub):= F000070(rhob,taub)*F000072(rhob,taub); 82 F000074(rhob,taub):= F000070(rhob,taub)*F000073(rhob,taub); 83 F000075(rhob,taub):= F000070(rhob,taub)*F000074(rhob,taub); 84 F000076(rhob,taub):= F000070(rhob,taub)*F000075(rhob,taub); 85 F000077(rhob,taub):= F000070(rhob,taub)*F000076(rhob,taub); 86 F000078(rhob,taub):= F000070(rhob,taub)*F000077(rhob,taub); 87 F000079(rhob,taub):= F000070(rhob,taub)*F000078(rhob,taub); [all …]
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H A D | nwxcm_x_m06_2x.max | 78 F000082(rhob,taub):= F000080(rhob,taub)/F000081(rhob,taub); 79 F000083(rhob,taub):= F000082(rhob,taub)*F000082(rhob,taub); 80 F000084(rhob,taub):= F000082(rhob,taub)*F000083(rhob,taub); 81 F000085(rhob,taub):= F000082(rhob,taub)*F000084(rhob,taub); 82 F000086(rhob,taub):= F000082(rhob,taub)*F000085(rhob,taub); 83 F000087(rhob,taub):= F000082(rhob,taub)*F000086(rhob,taub); 84 F000088(rhob,taub):= F000082(rhob,taub)*F000087(rhob,taub); 85 F000089(rhob,taub):= F000082(rhob,taub)*F000088(rhob,taub); 86 F000090(rhob,taub):= F000082(rhob,taub)*F000089(rhob,taub); 87 F000091(rhob,taub):= F000082(rhob,taub)*F000090(rhob,taub); [all …]
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H A D | nwxcm_x_vs98.max | 48 F000046(taub):= 0.2000000000000000E+01*taub; 50 F000048(rhob,taub):= F000046(taub)/F000044(rhob); 57 F000055(rhob,sigmabb,taub):= F000049(rhob,taub)/F000053(rhob,sigmabb,taub); 61 F000059(rhob,sigmabb,taub):= F000057(rhob,sigmabb,taub)+F000058(rhob,sigmabb,taub); 63 F000061(rhob,sigmabb,taub):= F000060(rhob,sigmabb,taub)*F000054(rhob,sigmabb,taub); 64 F000062(rhob,sigmabb,taub):= F000059(rhob,sigmabb,taub)+F000061(rhob,sigmabb,taub); 66 F000064(rhob,sigmabb,taub):= F000063(rhob,sigmabb,taub)*F000054(rhob,sigmabb,taub); 67 F000065(rhob,sigmabb,taub):= F000062(rhob,sigmabb,taub)+F000064(rhob,sigmabb,taub); 69 F000067(rhob,sigmabb,taub):= F000066(rhob,sigmabb,taub)*F000055(rhob,sigmabb,taub); 70 F000068(rhob,sigmabb,taub):= F000065(rhob,sigmabb,taub)+F000067(rhob,sigmabb,taub); [all …]
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H A D | nwxcm_x_tpss03.max | 102 F000090(taub):= taub*0.2000000000000000E+01; 113 F000099(rhob,sigmabb,taub):= F000092(rhob,sigmabb)/F000090(taub); 122 F000106(rhob,sigmabb,taub):= F000104(rhob,sigmabb,taub)*F000105(rhob,sigmabb,taub); 125 F000109(rhob,sigmabb,taub):= F000103(rhob,sigmabb,taub)/F000108(rhob,sigmabb,taub); 133 F000117(rhob,sigmabb,taub):= F000113(rhob,sigmabb,taub)/F000116(rhob,sigmabb,taub); 137 F000121(rhob,sigmabb,taub):= F000120(rhob,sigmabb,taub)*F000111(rhob,sigmabb,taub); 146 F000130(rhob,sigmabb,taub):= F000122(rhob,sigmabb,taub)*F000129(rhob,sigmabb,taub); 159 F000143(rhob,sigmabb,taub):= F000119(rhob,sigmabb,taub)+F000121(rhob,sigmabb,taub); 160 F000144(rhob,sigmabb,taub):= F000143(rhob,sigmabb,taub)+F000130(rhob,sigmabb,taub); 162 F000146(rhob,sigmabb,taub):= F000145(rhob,sigmabb,taub)+F000136(rhob,sigmabb,taub); [all …]
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H A D | nwxcm_c_pkzb99.max | 22 F000149(taua,taub):= taua+taub; 34 F000155(rhoa,rhob,sigmaaa,sigmabb,taua,taub):= F000154(rhoa,rhob,sigmaaa,sigmabb)/F000149(taua,taub… 35 …a,rhob,sigmaaa,sigmabb,taua,taub):= F000155(rhoa,rhob,sigmaaa,sigmabb,taua,taub)*F000155(rhoa,rhob… 40 /* comp: taub.lt.0.1000000000000000E-17 42 F000159(rhob,sigmabb,taub):= F000153(rhob,sigmabb)/taub; 43 F000160(rhob,sigmabb,taub):= F000159(rhob,sigmabb,taub)*F000159(rhob,sigmabb,taub); 75 F000444(rhoa,rhob,sigmabb,taub):= F000443(rhoa,rhob)*F000160(rhob,sigmabb,taub); 76 F000445(rhoa,rhob,sigmabb,taub):= F000444(rhoa,rhob,sigmabb,taub)*F000441(rhob,sigmabb); 77 F000446(rhoa,rhob,sigmabb,taub):= -(F000445(rhoa,rhob,sigmabb,taub)); 78 …b,sigmaaa,sigmaab,sigmabb,taua,taub):= F000305(rhoa,rhob,sigmaaa,sigmaab,sigmabb,taua,taub)+F00044… [all …]
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H A D | nwxcm_x_pkzb99.max | 59 F000051(taub):= 0.2000000000000000E+01*taub; 63 F000055(taub):= 0.3000000000000000E+01*F000051(taub); 64 F000056(taub):= F000055(taub)*0.5224234597046721E-01; 65 F000057(rhob,taub):= F000056(taub)/F000045(rhob); 66 F000058(rhob,taub):= F000057(rhob,taub)-0.4500000000000000E+00; 68 F000060(rhob,sigmabb,taub):= F000058(rhob,taub)-F000059(rhob,sigmabb); 71 F000063(rhob,sigmabb,taub):= F000062(rhob,sigmabb,taub)*F000060(rhob,sigmabb,taub); 72 F000064(rhob,sigmabb,taub):= F000061(rhob,sigmabb)+F000063(rhob,sigmabb,taub); 74 F000066(rhob,sigmabb,taub):= F000065(rhob,sigmabb,taub)*F000054(rhob,sigmabb); 75 F000067(rhob,sigmabb,taub):= F000064(rhob,sigmabb,taub)+F000066(rhob,sigmabb,taub); [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/bin/ |
H A D | autoxc | 545 elseif (args = [taub,1]) then 548 return([rhoa,1,taub,1]) 562 return([gammaaa,1,taub,1]) 565 elseif (args = [taub,2]) then 586 arg: subst(taua,taub,arg), 981 texput(taub,"\\\\tau_\\\\beta")$ 1017 uea0 : [ funcs(rhoa,gammaaa,taua,taub) ] $ 1020 uea1t: [ dfs1ts(rhoa,gammaaa,taua,taub), 1030 ueb0 : [ funcs(rhob,gammabb,taub,taua) ] $ 1033 ueb1t: [ dfs1ts(rhob,gammabb,taub,taua), [all …]
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H A D | autoxc-Ds | 663 return([rhoa,1,taub,1]) 1356 texput(taub,"\\\\tau_\\\\beta")$ 1425 uea0la : [ funcls(rhoa,taub) ] $ 1426 uea1lar: [ dfls1rs(rhoa,taub) ] $ 1429 dfls1tu(rhoa,taub) ] $ 1645 uea2lar: [ dfls2rsrs(rhoa,taub) ] $ 1649 dfls2rstu(rhoa,taub), 1654 dfls2tutu(rhoa,taub) ] $ 2186 uea3lar: [ dfls3rsrsrs(rhoa,taub) ] $ 2191 dfls3rsrstu(rhoa,taub), [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/bin/ |
H A D | autoxc | 545 elseif (args = [taub,1]) then 548 return([rhoa,1,taub,1]) 562 return([gammaaa,1,taub,1]) 565 elseif (args = [taub,2]) then 586 arg: subst(taua,taub,arg), 981 texput(taub,"\\\\tau_\\\\beta")$ 1017 uea0 : [ funcs(rhoa,gammaaa,taua,taub) ] $ 1020 uea1t: [ dfs1ts(rhoa,gammaaa,taua,taub), 1030 ueb0 : [ funcs(rhob,gammabb,taub,taua) ] $ 1033 ueb1t: [ dfs1ts(rhob,gammabb,taub,taua), [all …]
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