Clotilde Marut
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c081a2664a
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starting modifying code for parameters of CC functional
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2020-07-02 15:40:30 +02:00 |
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04d1d790f8
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starting working on fundamental gap with cloclo
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2020-06-23 15:59:19 +02:00 |
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2ce6b12854
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Three-state extension and MOM
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2020-04-26 23:17:27 +02:00 |
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ca2186bc6f
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remove GIC print
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2020-04-09 21:58:10 +02:00 |
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2eddd491bf
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individual energies fixed at fucking last
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2020-04-01 22:59:52 +02:00 |
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e7fa09cbd0
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guess
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2020-03-31 23:33:48 +02:00 |
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af9660b004
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fix bug in RMFL20
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2020-03-31 12:39:26 +02:00 |
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f7fa1de9b3
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shuffle SCF
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2020-03-30 17:50:07 +02:00 |
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e3af2bb0aa
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numgrid is workin
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2020-03-25 13:03:31 +01:00 |
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ddb940de48
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debug numgrid
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2020-03-25 12:56:28 +01:00 |
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1e65d1cf1f
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numgrid works
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2020-03-25 11:25:48 +01:00 |
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f6323a55e4
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build and allocate numgrid
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2020-03-25 10:39:45 +01:00 |
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23e752f5d1
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workin on numgrid
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2020-03-25 09:48:58 +01:00 |
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a8d26d6e36
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numgrid test
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2020-03-23 17:26:12 +01:00 |
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002e653cbb
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fix bug in eDFT
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2020-03-23 08:53:19 +01:00 |
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d0020765fc
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moved Cx in parameters
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2020-03-18 16:06:29 +01:00 |
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404746ad04
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LIM
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2020-03-18 11:10:21 +01:00 |
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3502e5729e
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workin on restricted
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2020-03-15 16:29:43 +01:00 |
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6cff7ad77a
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starting modifying code for clotilde
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2020-03-15 08:23:01 +01:00 |
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0be0d5d8c3
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revive eDFT code
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2020-03-14 23:00:44 +01:00 |
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c477b848ac
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basis correction
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2019-07-09 16:17:10 +02:00 |
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3ee4b0855a
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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