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bf7f441d4d
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RCC
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2020-06-04 22:41:38 +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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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
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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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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
|
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
|
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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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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1e65d1cf1f
|
numgrid works
|
2020-03-25 11:25:48 +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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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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3c050ffe4f
|
Radovan fix numgrid
|
2020-03-22 15:33:49 +01:00 |
|
Radovan Bast
|
5b85c687a2
|
ignore src/eDFT/obj/*.o
|
2020-03-22 15:25:16 +01:00 |
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941ab79dc1
|
numgrid
|
2020-03-21 16:31:39 +01:00 |
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d0020765fc
|
moved Cx in parameters
|
2020-03-18 16:06:29 +01:00 |
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bfd5131dae
|
LIM
|
2020-03-18 11:10:29 +01:00 |
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404746ad04
|
LIM
|
2020-03-18 11:10:21 +01:00 |
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2fdc2b2978
|
print energies
|
2020-03-18 07:29:54 +01:00 |
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a5163dbbcb
|
Debug in progress
|
2020-03-17 22:39:04 +01:00 |
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954e6d2a29
|
RMFL20 done
|
2020-03-17 19:35:00 +01:00 |
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c7434afdc2
|
eLDA correlation potential under work
|
2020-03-17 11:50:11 +01:00 |
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871f11ef40
|
eLDA correlation potential under work
|
2020-03-17 11:50:05 +01:00 |
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52fe50f992
|
DD eLDA
|
2020-03-17 11:29:29 +01:00 |
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ddc92cfd81
|
DD eLDA
|
2020-03-17 11:29:20 +01:00 |
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0667c8c5fd
|
individual energies for lda correlation
|
2020-03-16 23:28:56 +01:00 |
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