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dft_tools/python/converters/plovasp/test/_proj_group/two_site/LOCPROJ

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Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
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10 1 7 7 0.0000000005 -0.0000000044
10 1 7 8 -0.0000000006 0.0000000061
10 1 7 9 0.0751170362 -0.7478912336
10 1 7 10 0.0001793655 -0.0017831918
10 1 7 11 0.0000000001 0.0000000007
10 1 7 12 -0.0000000000 -0.0000000001
10 1 7 13 0.0000000014 -0.0000000131
10 1 7 14 0.0000000002 -0.0000000026
10 1 7 15 0.0000000027 -0.0000000197
10 1 7 16 -0.0000000003 0.0000000025
10 1 7 17 -0.0618425961 0.6118977417
10 1 7 18 0.0015648815 -0.0155836599
10 1 7 19 0.0000000007 -0.0000000077
10 1 7 20 -0.0000000004 0.0000000045
10 1 7 21 0.0000000000 -0.0000000005
10 1 7 22 -0.0000000000 -0.0000000000
10 1 7 23 0.0000000001 -0.0000000007
10 1 7 24 -0.0000000001 0.0000000009
10 1 7 25 -0.0127765983 0.1271687309
10 1 7 26 0.0001045696 -0.0010391390
10 1 7 27 0.0000000004 0.0000000030
10 1 7 28 -0.0000000025 -0.0000000026
10 1 7 29 -0.0000000008 -0.0000000003
10 1 7 30 -0.0000000001 -0.0000000005
10 1 7 31 -0.0000000004 -0.0000000009
10 1 7 32 0.0000000015 -0.0000000016
10 1 8 1 -0.1875775600 -0.0285514874
10 1 8 2 0.0019799544 0.0002960531
10 1 8 3 -0.0043478834 -0.0006605290
10 1 8 4 -0.0000009433 0.0000006036
10 1 8 5 -0.0000040985 -0.0000015965
10 1 8 6 0.0000024544 0.0000032864
10 1 8 7 -0.0000169153 0.0000147570
10 1 8 8 0.0000177445 0.0000030038
10 1 8 9 0.0000115304 -0.0000687054
10 1 8 10 -0.9416263419 -0.1429784976
10 1 8 11 0.0107317657 0.0016194147
10 1 8 12 0.0045142489 0.0006857304
10 1 8 13 0.0000000008 0.0000000001
10 1 8 14 0.0000000001 -0.0000000000
10 1 8 15 0.0000000050 0.0000000010
10 1 8 16 0.0000000015 0.0000000002
10 1 8 17 0.0000515997 0.0000370454
10 1 8 18 0.0000257822 0.0000028540
10 1 8 19 -0.0000725705 -0.0000135025
10 1 8 20 -0.1449471158 -0.0220051181
10 1 8 21 0.0012268154 0.0001848503
10 1 8 22 -0.0005809501 -0.0000882478
10 1 8 23 -0.0000000111 -0.0000000024
10 1 8 24 0.0000000007 0.0000000002
10 1 8 25 -0.0000000016 -0.0000000013
10 1 8 26 -0.0000000008 0.0000000027
10 1 8 27 -0.0000000041 0.0000001024
10 1 8 28 0.0000001009 -0.0000000348
10 1 8 29 -0.0000001566 0.0000001901
10 1 8 30 0.0000001158 0.0000000139
10 1 8 31 0.0000001291 -0.0000002498
10 1 8 32 0.0000000075 -0.0000001153
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