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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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2f835304f7
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evGT
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2020-04-13 14:19:14 +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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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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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
|
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
|
2020-03-27 10:14:38 +01:00 |
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7763d7d1a0
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makefile
|
2020-03-27 09:04:56 +01:00 |
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4983c8c16b
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core in CC
|
2020-03-26 16:57:46 +01:00 |
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f700c431d6
|
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
|
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 |
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|
a8d26d6e36
|
numgrid test
|
2020-03-23 17:26:12 +01:00 |
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|
002e653cbb
|
fix bug in eDFT
|
2020-03-23 08:53:19 +01:00 |
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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 |
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|
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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d0020765fc
|
moved Cx in parameters
|
2020-03-18 16:06:29 +01:00 |
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404746ad04
|
LIM
|
2020-03-18 11:10:21 +01:00 |
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a5163dbbcb
|
Debug in progress
|
2020-03-17 22:39:04 +01:00 |
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862b34099a
|
more examples
|
2020-03-17 21:34:59 +01:00 |
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|
|
0be0d5d8c3
|
revive eDFT code
|
2020-03-14 23:00:44 +01:00 |
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|
6b7ebf8158
|
clean up ACFDT
|
2020-03-13 10:25:20 +01:00 |
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|
150b669953
|
check BSE
|
2020-03-13 09:49:08 +01:00 |
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|
24a6cfab90
|
moar clean up
|
2020-03-13 09:18:18 +01:00 |
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|
fc73914faa
|
graphical GW
|
2020-03-12 15:04:16 +01:00 |
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|
c8855d8aed
|
more clean up
|
2020-03-11 17:55:42 +01:00 |
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|
63e6be3b2c
|
BSE clean up
|
2020-03-11 16:41:20 +01:00 |
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|
08d97376f2
|
ppRPA orlando orthogonalization
|
2020-03-07 08:58:50 +01:00 |
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|
c71ccda4df
|
experimenting with QP_roots
|
2020-02-12 21:44:35 +01:00 |
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|
b09cff2ff7
|
QP solutions
|
2020-02-12 12:25:24 +01:00 |
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af17fb153f
|
RPAx
|
2020-01-28 09:00:11 +01:00 |
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