/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/max/ |
H A D | nwxcm_c_vwn3.max | 7 F000003(rhoa):= F000002+rhoa; 182 F000155(rhoa):= F000152(rhoa)+F000154(rhoa); 188 F000161(rhoa):= F000152(rhoa)*F000157(rhoa); 193 F000166(rhoa):= F000164(rhoa)*F000165(rhoa); 194 F000167(rhoa):= F000166(rhoa)*F000157(rhoa); 200 F000173(rhoa):= F000171(rhoa)+F000172(rhoa); 202 F000175(rhoa):= F000173(rhoa)+F000174(rhoa); 204 F000177(rhoa):= F000152(rhoa)+F000176(rhoa); 210 F000183(rhoa):= F000152(rhoa)*F000179(rhoa); 215 F000188(rhoa):= F000186(rhoa)*F000187(rhoa); [all …]
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H A D | nwxcm_c_lyp.max | 5 F000003(rhoa,rhob):= rhoa+rhob; 8 F000004(rhoa,rhob):= rhoa+rhob; 14 F000006(rhoa,rhob):= F000005(rhoa,rhob)*F000005(rhoa,rhob); 16 F000008(rhoa):= rhoa*rhoa; 19 F000011(rhoa):= rhoa^(5/3); 21 F000013(rhoa):= rhoa*F000011(rhoa); 66 F000054(rhoa,rhob):= F000049(rhoa,rhob)*rhoa; 118 F000099(rhoa):= F000098(rhoa)*F000098(rhoa); 120 F000101(rhoa):= rhoa*rhoa; 125 F000106(rhoa):= rhoa*F000104(rhoa); [all …]
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H A D | nwxcm_c_vwn2.max | 7 F000003(rhoa):= F000002+rhoa; 183 F000156(rhoa):= F000153(rhoa)+F000155(rhoa); 189 F000162(rhoa):= F000153(rhoa)*F000158(rhoa); 194 F000167(rhoa):= F000165(rhoa)*F000166(rhoa); 195 F000168(rhoa):= F000167(rhoa)*F000158(rhoa); 201 F000174(rhoa):= F000172(rhoa)+F000173(rhoa); 203 F000176(rhoa):= F000174(rhoa)+F000175(rhoa); 205 F000178(rhoa):= F000153(rhoa)+F000177(rhoa); 211 F000184(rhoa):= F000153(rhoa)*F000180(rhoa); 216 F000189(rhoa):= F000187(rhoa)*F000188(rhoa); [all …]
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H A D | nwxcm_c_vwn5.max | 7 F000003(rhoa):= F000002+rhoa; 135 F000108(rhoa):= F000105(rhoa)+F000107(rhoa); 141 F000114(rhoa):= F000105(rhoa)*F000110(rhoa); 146 F000119(rhoa):= F000117(rhoa)*F000118(rhoa); 147 F000120(rhoa):= F000119(rhoa)*F000110(rhoa); 153 F000126(rhoa):= F000124(rhoa)+F000125(rhoa); 155 F000128(rhoa):= F000126(rhoa)+F000127(rhoa); 157 F000130(rhoa):= F000105(rhoa)+F000129(rhoa); 163 F000136(rhoa):= F000105(rhoa)*F000132(rhoa); 168 F000141(rhoa):= F000139(rhoa)*F000140(rhoa); [all …]
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H A D | nwxcm_c_vwn4.max | 7 F000003(rhoa):= F000002+rhoa; 135 F000108(rhoa):= F000105(rhoa)+F000107(rhoa); 141 F000114(rhoa):= F000105(rhoa)*F000110(rhoa); 146 F000119(rhoa):= F000117(rhoa)*F000118(rhoa); 147 F000120(rhoa):= F000119(rhoa)*F000110(rhoa); 153 F000126(rhoa):= F000124(rhoa)+F000125(rhoa); 155 F000128(rhoa):= F000126(rhoa)+F000127(rhoa); 157 F000130(rhoa):= F000105(rhoa)+F000129(rhoa); 163 F000136(rhoa):= F000105(rhoa)*F000132(rhoa); 168 F000141(rhoa):= F000139(rhoa)*F000140(rhoa); [all …]
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H A D | nwxcm_c_p91_vwn5.max | 8 F000006(rhoa):= F000002+rhoa; 277 F000224(rhoa):= F000221(rhoa)+F000223(rhoa); 283 F000230(rhoa):= F000221(rhoa)*F000226(rhoa); 288 F000235(rhoa):= F000233(rhoa)*F000234(rhoa); 289 F000236(rhoa):= F000235(rhoa)*F000226(rhoa); 295 F000242(rhoa):= F000240(rhoa)+F000241(rhoa); 297 F000244(rhoa):= F000242(rhoa)+F000243(rhoa); 299 F000246(rhoa):= F000221(rhoa)+F000245(rhoa); 305 F000252(rhoa):= F000221(rhoa)*F000248(rhoa); 310 F000257(rhoa):= F000255(rhoa)*F000256(rhoa); [all …]
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H A D | nwxcm_c_sogga.max | 193 F000192(rhoa):= F000191(rhoa)/F000188(rhoa); 204 F000199(rhoa):= F000195(rhoa)*F000198(rhoa); 212 F000207(rhoa):= F000190(rhoa)*F000206(rhoa); 215 F000210(rhoa):= F000208(rhoa)+F000209(rhoa); 217 F000212(rhoa):= F000210(rhoa)+F000211(rhoa); 219 F000214(rhoa):= F000213(rhoa)*F000190(rhoa); 220 F000215(rhoa):= F000212(rhoa)+F000214(rhoa); 225 F000220(rhoa):= F000205(rhoa)*F000219(rhoa); 231 F000226(rhoa):= F000190(rhoa)*F000225(rhoa); 234 F000229(rhoa):= F000227(rhoa)+F000228(rhoa); [all …]
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H A D | nwxcm_c_p91.max | 11 F000007(rhoa):= F000003+rhoa; 241 F000192(rhoa):= F000189(rhoa)*F000191(rhoa); 243 F000194(rhoa):= F000189(rhoa)*F000193(rhoa); 245 F000196(rhoa):= F000189(rhoa)*F000195(rhoa); 252 F000203(rhoa):= F000202(rhoa)*F000199(rhoa); 255 F000206(rhoa):= F000189(rhoa)*F000205(rhoa); 257 F000208(rhoa):= F000189(rhoa)*F000207(rhoa); 259 F000210(rhoa):= F000189(rhoa)*F000209(rhoa); 266 F000217(rhoa):= F000216(rhoa)*F000213(rhoa); 269 F000220(rhoa):= F000189(rhoa)*F000219(rhoa); [all …]
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H A D | nwxcm_c_pw91lda.max | 7 F000003(rhoa):= F000002+rhoa; 109 F000086(rhoa):= F000083(rhoa)*F000085(rhoa); 111 F000088(rhoa):= F000083(rhoa)*F000087(rhoa); 113 F000090(rhoa):= F000083(rhoa)*F000089(rhoa); 120 F000097(rhoa):= F000096(rhoa)*F000093(rhoa); 123 F000100(rhoa):= F000083(rhoa)*F000099(rhoa); 125 F000102(rhoa):= F000083(rhoa)*F000101(rhoa); 127 F000104(rhoa):= F000083(rhoa)*F000103(rhoa); 134 F000111(rhoa):= F000110(rhoa)*F000107(rhoa); 137 F000114(rhoa):= F000083(rhoa)*F000113(rhoa); [all …]
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H A D | nwxcm_c_m06.max | 4 F000024(rhoa,rhob):= rhoa+rhob; 22 F000034(rhoa):= F000033(rhoa)*F000032(rhoa); 24 F000036(rhoa):= F000035(rhoa)*rhoa; 46 F000054(rhoa):= F000038(rhoa)*F000053(rhoa); 49 F000057(rhoa):= F000055(rhoa)+F000056(rhoa); 51 F000059(rhoa):= F000057(rhoa)+F000058(rhoa); 53 F000061(rhoa):= F000060(rhoa)*F000038(rhoa); 54 F000062(rhoa):= F000059(rhoa)+F000061(rhoa); 59 F000067(rhoa):= F000052(rhoa)*F000066(rhoa); 65 F000073(rhoa):= F000038(rhoa)*F000072(rhoa); [all …]
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H A D | nwxcm_c_b97.max | 128 F000099(rhoa):= F000096(rhoa)*F000098(rhoa); 130 F000101(rhoa):= F000096(rhoa)*F000100(rhoa); 132 F000103(rhoa):= F000096(rhoa)*F000102(rhoa); 139 F000110(rhoa):= F000109(rhoa)*F000106(rhoa); 142 F000113(rhoa):= F000096(rhoa)*F000112(rhoa); 144 F000115(rhoa):= F000096(rhoa)*F000114(rhoa); 146 F000117(rhoa):= F000096(rhoa)*F000116(rhoa); 153 F000124(rhoa):= F000123(rhoa)*F000120(rhoa); 156 F000127(rhoa):= F000096(rhoa)*F000126(rhoa); 158 F000129(rhoa):= F000096(rhoa)*F000128(rhoa); [all …]
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H A D | nwxcm_c_perdew81.max | 7 F000003(rhoa):= F000002+rhoa; 14 F000006(rhoa,rhob):= F000005(rhoa,rhob)/F000004(rhoa,rhob); 122 F000091(rhoa):= F000089(rhoa)+F000090(rhoa); 130 F000099(rhoa):= F000098(rhoa)*F000086(rhoa); 131 F000100(rhoa):= F000097(rhoa)+F000099(rhoa); 133 F000102(rhoa):= F000100(rhoa)+F000101(rhoa); 134 F000103(rhoa):= F000095(rhoa)*F000102(rhoa); 139 F000108(rhoa):= F000107(rhoa)*F000092(rhoa); 140 F000109(rhoa):= F000103(rhoa)+F000108(rhoa); 144 F000113(rhoa):= F000111(rhoa)+F000112(rhoa); [all …]
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H A D | nwxcm_c_dldf.max | 46 F000032(rhoa):= F000016(rhoa)*F000031(rhoa); 49 F000035(rhoa):= F000033(rhoa)+F000034(rhoa); 51 F000037(rhoa):= F000035(rhoa)+F000036(rhoa); 53 F000039(rhoa):= F000038(rhoa)*F000016(rhoa); 54 F000040(rhoa):= F000037(rhoa)+F000039(rhoa); 59 F000045(rhoa):= F000030(rhoa)*F000044(rhoa); 65 F000051(rhoa):= F000016(rhoa)*F000050(rhoa); 68 F000054(rhoa):= F000052(rhoa)+F000053(rhoa); 70 F000056(rhoa):= F000054(rhoa)+F000055(rhoa); 110 F000096(rhoa):= rhoa*F000095(rhoa); [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/max/ |
H A D | nwxcm_c_vwn3.max | 7 F000003(rhoa):= F000002+rhoa; 182 F000155(rhoa):= F000152(rhoa)+F000154(rhoa); 188 F000161(rhoa):= F000152(rhoa)*F000157(rhoa); 193 F000166(rhoa):= F000164(rhoa)*F000165(rhoa); 194 F000167(rhoa):= F000166(rhoa)*F000157(rhoa); 200 F000173(rhoa):= F000171(rhoa)+F000172(rhoa); 202 F000175(rhoa):= F000173(rhoa)+F000174(rhoa); 204 F000177(rhoa):= F000152(rhoa)+F000176(rhoa); 210 F000183(rhoa):= F000152(rhoa)*F000179(rhoa); 215 F000188(rhoa):= F000186(rhoa)*F000187(rhoa); [all …]
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H A D | nwxcm_c_lyp.max | 5 F000003(rhoa,rhob):= rhoa+rhob; 8 F000004(rhoa,rhob):= rhoa+rhob; 14 F000006(rhoa,rhob):= F000005(rhoa,rhob)*F000005(rhoa,rhob); 16 F000008(rhoa):= rhoa*rhoa; 19 F000011(rhoa):= rhoa^(5/3); 21 F000013(rhoa):= rhoa*F000011(rhoa); 66 F000054(rhoa,rhob):= F000049(rhoa,rhob)*rhoa; 118 F000099(rhoa):= F000098(rhoa)*F000098(rhoa); 120 F000101(rhoa):= rhoa*rhoa; 125 F000106(rhoa):= rhoa*F000104(rhoa); [all …]
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H A D | nwxcm_c_vwn2.max | 7 F000003(rhoa):= F000002+rhoa; 183 F000156(rhoa):= F000153(rhoa)+F000155(rhoa); 189 F000162(rhoa):= F000153(rhoa)*F000158(rhoa); 194 F000167(rhoa):= F000165(rhoa)*F000166(rhoa); 195 F000168(rhoa):= F000167(rhoa)*F000158(rhoa); 201 F000174(rhoa):= F000172(rhoa)+F000173(rhoa); 203 F000176(rhoa):= F000174(rhoa)+F000175(rhoa); 205 F000178(rhoa):= F000153(rhoa)+F000177(rhoa); 211 F000184(rhoa):= F000153(rhoa)*F000180(rhoa); 216 F000189(rhoa):= F000187(rhoa)*F000188(rhoa); [all …]
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H A D | nwxcm_c_vwn4.max | 7 F000003(rhoa):= F000002+rhoa; 135 F000108(rhoa):= F000105(rhoa)+F000107(rhoa); 141 F000114(rhoa):= F000105(rhoa)*F000110(rhoa); 146 F000119(rhoa):= F000117(rhoa)*F000118(rhoa); 147 F000120(rhoa):= F000119(rhoa)*F000110(rhoa); 153 F000126(rhoa):= F000124(rhoa)+F000125(rhoa); 155 F000128(rhoa):= F000126(rhoa)+F000127(rhoa); 157 F000130(rhoa):= F000105(rhoa)+F000129(rhoa); 163 F000136(rhoa):= F000105(rhoa)*F000132(rhoa); 168 F000141(rhoa):= F000139(rhoa)*F000140(rhoa); [all …]
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H A D | nwxcm_c_vwn5.max | 7 F000003(rhoa):= F000002+rhoa; 135 F000108(rhoa):= F000105(rhoa)+F000107(rhoa); 141 F000114(rhoa):= F000105(rhoa)*F000110(rhoa); 146 F000119(rhoa):= F000117(rhoa)*F000118(rhoa); 147 F000120(rhoa):= F000119(rhoa)*F000110(rhoa); 153 F000126(rhoa):= F000124(rhoa)+F000125(rhoa); 155 F000128(rhoa):= F000126(rhoa)+F000127(rhoa); 157 F000130(rhoa):= F000105(rhoa)+F000129(rhoa); 163 F000136(rhoa):= F000105(rhoa)*F000132(rhoa); 168 F000141(rhoa):= F000139(rhoa)*F000140(rhoa); [all …]
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H A D | nwxcm_c_p91_vwn5.max | 8 F000006(rhoa):= F000002+rhoa; 277 F000224(rhoa):= F000221(rhoa)+F000223(rhoa); 283 F000230(rhoa):= F000221(rhoa)*F000226(rhoa); 288 F000235(rhoa):= F000233(rhoa)*F000234(rhoa); 289 F000236(rhoa):= F000235(rhoa)*F000226(rhoa); 295 F000242(rhoa):= F000240(rhoa)+F000241(rhoa); 297 F000244(rhoa):= F000242(rhoa)+F000243(rhoa); 299 F000246(rhoa):= F000221(rhoa)+F000245(rhoa); 305 F000252(rhoa):= F000221(rhoa)*F000248(rhoa); 310 F000257(rhoa):= F000255(rhoa)*F000256(rhoa); [all …]
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H A D | nwxcm_c_sogga.max | 193 F000192(rhoa):= F000191(rhoa)/F000188(rhoa); 204 F000199(rhoa):= F000195(rhoa)*F000198(rhoa); 212 F000207(rhoa):= F000190(rhoa)*F000206(rhoa); 215 F000210(rhoa):= F000208(rhoa)+F000209(rhoa); 217 F000212(rhoa):= F000210(rhoa)+F000211(rhoa); 219 F000214(rhoa):= F000213(rhoa)*F000190(rhoa); 220 F000215(rhoa):= F000212(rhoa)+F000214(rhoa); 225 F000220(rhoa):= F000205(rhoa)*F000219(rhoa); 231 F000226(rhoa):= F000190(rhoa)*F000225(rhoa); 234 F000229(rhoa):= F000227(rhoa)+F000228(rhoa); [all …]
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H A D | nwxcm_c_p91.max | 11 F000007(rhoa):= F000003+rhoa; 241 F000192(rhoa):= F000189(rhoa)*F000191(rhoa); 243 F000194(rhoa):= F000189(rhoa)*F000193(rhoa); 245 F000196(rhoa):= F000189(rhoa)*F000195(rhoa); 252 F000203(rhoa):= F000202(rhoa)*F000199(rhoa); 255 F000206(rhoa):= F000189(rhoa)*F000205(rhoa); 257 F000208(rhoa):= F000189(rhoa)*F000207(rhoa); 259 F000210(rhoa):= F000189(rhoa)*F000209(rhoa); 266 F000217(rhoa):= F000216(rhoa)*F000213(rhoa); 269 F000220(rhoa):= F000189(rhoa)*F000219(rhoa); [all …]
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H A D | nwxcm_c_pw91lda.max | 7 F000003(rhoa):= F000002+rhoa; 109 F000086(rhoa):= F000083(rhoa)*F000085(rhoa); 111 F000088(rhoa):= F000083(rhoa)*F000087(rhoa); 113 F000090(rhoa):= F000083(rhoa)*F000089(rhoa); 120 F000097(rhoa):= F000096(rhoa)*F000093(rhoa); 123 F000100(rhoa):= F000083(rhoa)*F000099(rhoa); 125 F000102(rhoa):= F000083(rhoa)*F000101(rhoa); 127 F000104(rhoa):= F000083(rhoa)*F000103(rhoa); 134 F000111(rhoa):= F000110(rhoa)*F000107(rhoa); 137 F000114(rhoa):= F000083(rhoa)*F000113(rhoa); [all …]
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H A D | nwxcm_c_m06.max | 4 F000024(rhoa,rhob):= rhoa+rhob; 22 F000034(rhoa):= F000033(rhoa)*F000032(rhoa); 24 F000036(rhoa):= F000035(rhoa)*rhoa; 46 F000054(rhoa):= F000038(rhoa)*F000053(rhoa); 49 F000057(rhoa):= F000055(rhoa)+F000056(rhoa); 51 F000059(rhoa):= F000057(rhoa)+F000058(rhoa); 53 F000061(rhoa):= F000060(rhoa)*F000038(rhoa); 54 F000062(rhoa):= F000059(rhoa)+F000061(rhoa); 59 F000067(rhoa):= F000052(rhoa)*F000066(rhoa); 65 F000073(rhoa):= F000038(rhoa)*F000072(rhoa); [all …]
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H A D | nwxcm_c_b97.max | 128 F000099(rhoa):= F000096(rhoa)*F000098(rhoa); 130 F000101(rhoa):= F000096(rhoa)*F000100(rhoa); 132 F000103(rhoa):= F000096(rhoa)*F000102(rhoa); 139 F000110(rhoa):= F000109(rhoa)*F000106(rhoa); 142 F000113(rhoa):= F000096(rhoa)*F000112(rhoa); 144 F000115(rhoa):= F000096(rhoa)*F000114(rhoa); 146 F000117(rhoa):= F000096(rhoa)*F000116(rhoa); 153 F000124(rhoa):= F000123(rhoa)*F000120(rhoa); 156 F000127(rhoa):= F000096(rhoa)*F000126(rhoa); 158 F000129(rhoa):= F000096(rhoa)*F000128(rhoa); [all …]
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H A D | nwxcm_c_perdew81.max | 7 F000003(rhoa):= F000002+rhoa; 14 F000006(rhoa,rhob):= F000005(rhoa,rhob)/F000004(rhoa,rhob); 122 F000091(rhoa):= F000089(rhoa)+F000090(rhoa); 130 F000099(rhoa):= F000098(rhoa)*F000086(rhoa); 131 F000100(rhoa):= F000097(rhoa)+F000099(rhoa); 133 F000102(rhoa):= F000100(rhoa)+F000101(rhoa); 134 F000103(rhoa):= F000095(rhoa)*F000102(rhoa); 139 F000108(rhoa):= F000107(rhoa)*F000092(rhoa); 140 F000109(rhoa):= F000103(rhoa)+F000108(rhoa); 144 F000113(rhoa):= F000111(rhoa)+F000112(rhoa); [all …]
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