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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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b6bbeb3f3b
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fix bug in BSE triplet
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2020-06-09 21:24:37 +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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769f4e9221
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(1)
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2020-06-05 22:34:32 +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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e4ce9dd9ba
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stop
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2020-06-03 12:46:26 +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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030435f90c
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non dTDA
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2020-06-01 11:35:17 +02:00 |
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a02bebdd88
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iterative dynamic correction for BSE
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2020-05-21 16:13:52 +02:00 |
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629a166e03
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beyond TDA for dynamic BSE
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2020-05-20 16:49:16 +02:00 |
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0c6153de3f
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beyond TDA for dynamic BSE
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2020-05-20 16:46:07 +02:00 |
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61832f1259
|
GW gap warning and antiresonnant term
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2020-05-15 13:08:07 +02:00 |
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431eab634d
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saving eDFT
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2020-05-05 16:45:10 +02:00 |
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d91631f73f
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Done with 3st ensemble
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2020-04-27 23:04:00 +02:00 |
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2ce6b12854
|
Three-state extension and MOM
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2020-04-26 23:17:27 +02:00 |
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54a938a909
|
switch to eDFT
|
2020-04-26 16:07:45 +02:00 |
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01e9f785c2
|
dynamic screening in BSE
|
2020-04-23 23:13:15 +02:00 |
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a2c2eb32b5
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dynamic correction
|
2020-04-22 00:39:52 +02:00 |
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13b170fc2f
|
star implementation of CISD
|
2020-04-20 12:28:19 +02:00 |
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2b0244e010
|
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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ca2186bc6f
|
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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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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|
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 |
|
|
|
59d798afc9
|
fix bug in print energy eDFT
|
2020-03-27 20:46:13 +01:00 |
|
|
|
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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