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2b44f1b294
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more examples
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2020-04-23 23:14:14 +02:00 |
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f38c07a444
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dynamic screening in BSE
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2020-04-23 23:13:44 +02:00 |
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01e9f785c2
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dynamic screening in BSE
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2020-04-23 23:13:15 +02:00 |
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e855727d8a
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dyn corr for BSE
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2020-04-22 09:55:58 +02:00 |
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a2c2eb32b5
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dynamic correction
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2020-04-22 00:39:52 +02:00 |
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13b170fc2f
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star implementation of CISD
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2020-04-20 12:28:19 +02:00 |
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88c13a8ec9
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more examples
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2020-04-16 17:02:57 +02:00 |
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2b0244e010
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RS in GW
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2020-04-16 17:02:01 +02:00 |
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a0b8383971
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correct bug in evGW
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2020-04-15 09:34:41 +02:00 |
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b5e4ded668
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cleaning ppRPA
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2020-04-15 08:53:02 +02:00 |
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cfc910fb26
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lr from Toto
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2020-04-14 15:59:34 +02:00 |
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5441aa845a
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bug print
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2020-04-13 23:05:19 +02:00 |
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8433bf9281
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bug print
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2020-04-13 22:56:49 +02:00 |
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57003acb75
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faster orthogonalization in ppRPA
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2020-04-13 20:13:38 +02:00 |
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2f835304f7
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evGT
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2020-04-13 14:19:14 +02:00 |
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26aa96f1e1
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remove soG0T0
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2020-04-13 11:35:32 +02:00 |
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b96ea676fd
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b4 removing soG0T0
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2020-04-13 11:33:48 +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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4587d3ff5c
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update stretched H2
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2020-04-09 14:31:50 +02:00 |
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e11d1a94dd
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GIC functional working
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2020-04-06 23:34:49 +02:00 |
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614bf19a9c
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B88 for ensemble starting implementation
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2020-04-06 22:27:13 +02:00 |
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192a6345de
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GIC functional
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2020-04-06 19:40:42 +02:00 |
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5a80b38685
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individual energies for HF
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2020-04-02 09:53:36 +02:00 |
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f39341ab82
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hartree ind energy
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2020-04-01 23:15:57 +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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196ac67c26
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fix bug in LDA shift
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2020-03-31 22:15:45 +02:00 |
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95e10e2ee8
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correct but in individual energies
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2020-03-31 13:23:28 +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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9e8eeb4522
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minor bug
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2020-03-30 23:51:47 +02:00 |
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bbc121c992
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auxiliary energies
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2020-03-30 22:45:05 +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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e4dcb5fadf
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huckel guess in eDFT
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2020-03-29 21:35:40 +02:00 |
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438a36a82c
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lda centered
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2020-03-29 18:34:09 +02:00 |
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3e72d87adf
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starting implementing B88
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2020-03-28 22:52:45 +01:00 |
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59d798afc9
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fix bug in print energy eDFT
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2020-03-27 20:46:13 +01:00 |
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1b690334d2
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Fix Makefile Thanks toto
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2020-03-27 10:14:38 +01:00 |
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7763d7d1a0
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makefile
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2020-03-27 09:04:56 +01:00 |
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4983c8c16b
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core in CC
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2020-03-26 16:57:46 +01:00 |
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fb012773cb
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seg fault fix
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2020-03-25 22:11:00 +01:00 |
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f700c431d6
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sort ppRPA
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2020-03-25 21:10:21 +01:00 |
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1b3be7ae89
|
numgrid project done
|
2020-03-25 13:31:15 +01:00 |
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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
|
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
|
2020-03-25 10:39:45 +01:00 |
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23e752f5d1
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workin on numgrid
|
2020-03-25 09:48:58 +01:00 |
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08a4d4e4e9
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spinorbital G0T0 OK
|
2020-03-24 14:55:22 +01:00 |
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5ef788cbc9
|
pCCD and ppRPA
|
2020-03-24 12:28:56 +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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