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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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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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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
|
correct bug in evGW
|
2020-04-15 09:34:41 +02:00 |
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b5e4ded668
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cleaning ppRPA
|
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
|
2020-04-13 14:19:14 +02:00 |
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b96ea676fd
|
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
|
2020-04-09 21:58:10 +02:00 |
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4587d3ff5c
|
update stretched H2
|
2020-04-09 14:31:50 +02:00 |
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e11d1a94dd
|
GIC functional working
|
2020-04-06 23:34:49 +02:00 |
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614bf19a9c
|
B88 for ensemble starting implementation
|
2020-04-06 22:27:13 +02:00 |
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192a6345de
|
GIC functional
|
2020-04-06 19:40:42 +02:00 |
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5a80b38685
|
individual energies for HF
|
2020-04-02 09:53:36 +02:00 |
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f39341ab82
|
hartree ind energy
|
2020-04-01 23:15:57 +02:00 |
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2eddd491bf
|
individual energies fixed at fucking last
|
2020-04-01 22:59:52 +02:00 |
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e7fa09cbd0
|
guess
|
2020-03-31 23:33:48 +02:00 |
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196ac67c26
|
fix bug in LDA shift
|
2020-03-31 22:15:45 +02:00 |
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95e10e2ee8
|
correct but in individual energies
|
2020-03-31 13:23:28 +02:00 |
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9e8eeb4522
|
minor bug
|
2020-03-30 23:51:47 +02:00 |
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bbc121c992
|
auxiliary energies
|
2020-03-30 22:45:05 +02:00 |
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f7fa1de9b3
|
shuffle SCF
|
2020-03-30 17:50:07 +02:00 |
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e4dcb5fadf
|
huckel guess in eDFT
|
2020-03-29 21:35:40 +02:00 |
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|
438a36a82c
|
lda centered
|
2020-03-29 18:34:09 +02:00 |
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|
|
3e72d87adf
|
starting implementing B88
|
2020-03-28 22:52:45 +01:00 |
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|
|
59d798afc9
|
fix bug in print energy eDFT
|
2020-03-27 20:46:13 +01:00 |
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1b690334d2
|
Fix Makefile Thanks toto
|
2020-03-27 10:14:38 +01:00 |
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|
7763d7d1a0
|
makefile
|
2020-03-27 09:04:56 +01:00 |
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|
4983c8c16b
|
core in CC
|
2020-03-26 16:57:46 +01:00 |
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|
|
f700c431d6
|
sort ppRPA
|
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
|
numgrid is workin
|
2020-03-25 13:03:31 +01:00 |
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|
|
ddb940de48
|
debug numgrid
|
2020-03-25 12:56:28 +01:00 |
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|
|
f6323a55e4
|
build and allocate numgrid
|
2020-03-25 10:39:45 +01:00 |
|
|
|
23e752f5d1
|
workin on numgrid
|
2020-03-25 09:48:58 +01:00 |
|
|
|
08a4d4e4e9
|
spinorbital G0T0 OK
|
2020-03-24 14:55:22 +01:00 |
|
|
|
5ef788cbc9
|
pCCD and ppRPA
|
2020-03-24 12:28:56 +01:00 |
|
|
|
a8d26d6e36
|
numgrid test
|
2020-03-23 17:26:12 +01:00 |
|
|
|
002e653cbb
|
fix bug in eDFT
|
2020-03-23 08:53:19 +01:00 |
|
|
|
6a0bf1f8ce
|
DIIS in CCD
|
2020-03-22 23:01:36 +01:00 |
|
|
|
f43cf3f4e4
|
debug pCCD
|
2020-03-22 15:20:42 +01:00 |
|
|
|
eee1a1c6b4
|
CCD variants
|
2020-03-21 22:50:43 +01:00 |
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|
|
a985f27142
|
BSE in ppRPA
|
2020-03-21 21:09:48 +01:00 |
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|
|
941ab79dc1
|
numgrid
|
2020-03-21 16:31:39 +01:00 |
|
|
|
97d5958add
|
GF clean up
|
2020-03-19 10:59:20 +01:00 |
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|
5f75ec478b
|
GF clean up
|
2020-03-19 10:33:56 +01:00 |
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