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8c5cfe0bbe
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Minor changes
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2021-03-09 00:59:49 +01:00 |
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vijay gopal chilkuri
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e2f1404784
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Added input of nelec, nnuc, and initialization of typenuc_arr=1.
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2021-03-08 21:47:00 +01:00 |
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Panadestein
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01126faa45
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Gradient and Laplacian for total jastrow working
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2020-12-17 16:44:15 +01:00 |
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Panadestein
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bcc68c6e81
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Jen gradient and laplacian working!
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2020-12-17 15:33:51 +01:00 |
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Panadestein
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952c6696a5
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Jen gradient. Not laplacian
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2020-12-16 19:38:41 +01:00 |
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Panadestein
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c8dd05f555
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Jee derivatives full (To be tested)
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2020-12-14 13:40:47 +01:00 |
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Panadestein
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72c0fb1e4e
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Fix electrons formula
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2020-12-08 23:40:24 +01:00 |
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Panadestein
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be13b968df
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Fix nuclei formula
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2020-12-08 18:56:36 +01:00 |
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Panadestein
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ea0d11a899
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Corrected distances
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2020-12-08 13:08:23 +01:00 |
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Panadestein
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274b648e4c
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Added input files
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2020-12-07 10:55:37 +01:00 |
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45987d8699
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Fixed orders
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2020-12-04 16:14:56 +01:00 |
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Panadestein
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bcef333c60
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Reading input file. BROKENgit add .!
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2020-12-04 01:05:07 +01:00 |
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1f8e639e0c
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Fixed random bug
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2020-12-02 15:32:08 +01:00 |
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247b84f2d2
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Tests (broken)
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2020-11-26 16:12:33 +01:00 |
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Panadestein
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900bf125e6
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Fix double summation
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2020-11-25 18:09:13 +01:00 |
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Panadestein
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0af276cfc5
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Almost functional version. Need correct Cord
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2020-11-25 16:59:53 +01:00 |
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Panadestein
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32576e0221
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Initial commit
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2020-11-17 21:35:52 +01:00 |
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