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4569e15744
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new options
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2020-06-16 14:02:14 +02:00 |
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f7e90a9f99
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spin in W
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2020-06-14 13:04:16 +02:00 |
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84e01bfcb6
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-w
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2020-06-11 15:36:16 +02:00 |
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fdaf483399
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fix bug
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2020-06-06 21:34:39 +02:00 |
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d473dd79fa
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BSE2
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2020-06-06 08:48:04 +02:00 |
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986caedeac
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clean dBSE code
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2020-06-04 22:40:14 +02:00 |
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2d02a4b694
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new basis
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2020-06-04 13:08:31 +02:00 |
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4b3bb88b84
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clean up GF
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2020-06-03 12:06:16 +02:00 |
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ea78befb4f
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BSE2 debug done
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2020-06-02 22:36:56 +02:00 |
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29294ef5a4
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BSE almost done
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2020-06-01 22:01:21 +02:00 |
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61832f1259
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GW gap warning and antiresonnant term
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2020-05-15 13:08:07 +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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54a938a909
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switch to eDFT
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2020-04-26 16:07:45 +02:00 |
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01e9f785c2
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dynamic screening in BSE
|
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
|
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
|
cleaning ppRPA
|
2020-04-15 08:53:02 +02:00 |
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cfc910fb26
|
lr from Toto
|
2020-04-14 15:59:34 +02:00 |
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5441aa845a
|
bug print
|
2020-04-13 23:05:19 +02:00 |
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8433bf9281
|
bug print
|
2020-04-13 22:56:49 +02:00 |
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2f835304f7
|
evGT
|
2020-04-13 14:19:14 +02:00 |
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b96ea676fd
|
b4 removing soG0T0
|
2020-04-13 11:33:48 +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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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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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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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 |
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|
|
23e752f5d1
|
workin on numgrid
|
2020-03-25 09:48:58 +01:00 |
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|
|
08a4d4e4e9
|
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 |
|
|
|
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 |
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|
|
f43cf3f4e4
|
debug pCCD
|
2020-03-22 15:20:42 +01:00 |
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|
|
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 |
|
|
|
941ab79dc1
|
numgrid
|
2020-03-21 16:31:39 +01:00 |
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|
|
bcbeba2a7c
|
GF clean up
|
2020-03-19 10:21:18 +01:00 |
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