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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/max/
H A Dnwxcm_c_vwn3.max7 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 …]
H A Dnwxcm_c_lyp.max5 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 …]
H A Dnwxcm_c_vwn2.max7 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 …]
H A Dnwxcm_c_vwn5.max7 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 …]
H A Dnwxcm_c_vwn4.max7 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 …]
H A Dnwxcm_c_p91_vwn5.max8 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 …]
H A Dnwxcm_c_sogga.max193 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 …]
H A Dnwxcm_c_p91.max11 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 …]
H A Dnwxcm_c_pw91lda.max7 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 …]
H A Dnwxcm_c_m06.max4 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 …]
H A Dnwxcm_c_b97.max128 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 …]
H A Dnwxcm_c_perdew81.max7 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 …]
H A Dnwxcm_c_dldf.max46 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/max/
H A Dnwxcm_c_vwn3.max7 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 …]
H A Dnwxcm_c_lyp.max5 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 …]
H A Dnwxcm_c_vwn2.max7 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 …]
H A Dnwxcm_c_vwn4.max7 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 …]
H A Dnwxcm_c_vwn5.max7 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 …]
H A Dnwxcm_c_p91_vwn5.max8 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 …]
H A Dnwxcm_c_sogga.max193 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 …]
H A Dnwxcm_c_p91.max11 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 …]
H A Dnwxcm_c_pw91lda.max7 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 …]
H A Dnwxcm_c_m06.max4 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 …]
H A Dnwxcm_c_b97.max128 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 …]
H A Dnwxcm_c_perdew81.max7 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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