|
|
f1f51a7c62
|
Add prefix support
|
2020-03-28 13:21:47 +01:00 |
|
|
|
dafaf023f7
|
Merge branch 'master' into QUEST2
|
2020-03-28 13:02:16 +01:00 |
|
|
|
5226082616
|
Simplify fileName building
|
2020-03-28 13:00:17 +01:00 |
|
|
|
6d5bbc47d4
|
Add tex example for QUEST#2
|
2020-03-27 14:45:11 +01:00 |
|
|
|
14ed96134d
|
Fix symmetry alignment for QUEST#2
|
2020-03-27 14:44:57 +01:00 |
|
|
|
1fe9da3287
|
Merge branch 'master' into QUEST2
|
2020-03-27 14:35:50 +01:00 |
|
|
|
caf0ef124f
|
Fix first symmetry alignment
|
2020-03-27 14:35:01 +01:00 |
|
|
|
789adff686
|
Fix carbon_dimer symmetry
|
2020-03-27 14:13:27 +01:00 |
|
|
|
a4c146ba1d
|
Delete unnecessary files
|
2020-03-27 14:11:15 +01:00 |
|
|
|
d2da9e987b
|
Fix carbon dimer symmetry
|
2020-03-27 11:46:56 +01:00 |
|
|
|
d511dd4e29
|
Merge branch 'master' into QUEST2
|
2020-03-26 17:58:45 +01:00 |
|
|
|
76d4582c83
|
Fix doublon assertion
|
2020-03-26 17:58:27 +01:00 |
|
|
|
f1f980be31
|
Merge branch 'master' into QUEST2
|
2020-03-26 17:54:07 +01:00 |
|
|
|
79b66f33cd
|
Fix doublon assertion
|
2020-03-26 17:53:42 +01:00 |
|
|
|
33cd88d8bb
|
Merge branch 'master' into QUEST2
|
2020-03-26 17:45:14 +01:00 |
|
|
|
52f536a654
|
Fix RequestHeader
|
2020-03-26 17:44:44 +01:00 |
|
|
|
9a0809606f
|
Add data from table 1
|
2020-03-26 16:30:20 +01:00 |
|
|
|
782677f88b
|
Fix DOUBLECOLUMN format
|
2020-03-26 16:29:30 +01:00 |
|
|
|
7fb707ec85
|
Add optionals arguments to getSubtableIndex
|
2020-03-21 16:31:50 +01:00 |
|
|
|
3402445caa
|
Starting to fix python code for QUEST#2
|
2020-03-21 16:13:31 +01:00 |
|
|
|
b8e8b52383
|
Merge branch 'master' into QUEST2
|
2020-03-20 13:38:29 +01:00 |
|
|
|
b171001b38
|
Remove cache for text files
|
2020-03-20 11:10:56 +01:00 |
|
|
|
b9919ef184
|
Change excitationTypes names
|
2020-03-20 11:09:48 +01:00 |
|
|
|
110d8e9819
|
Add CBS to experimental
|
2020-03-20 10:32:24 +01:00 |
|
|
|
24079012e8
|
Delete active space data
|
2020-03-20 10:28:33 +01:00 |
|
|
|
c771568bb5
|
Merge branch 'QUEST#1' into QUEST#3
|
2020-03-19 18:07:02 +01:00 |
|
|
|
9bce112b27
|
Better design for publication page
|
2020-03-19 18:06:29 +01:00 |
|
|
|
c78ec858fb
|
Merge branch 'QUEST#1' into QUEST#3
|
2020-03-19 16:27:17 +01:00 |
|
|
|
9d3c413239
|
Fix double are unsafe
|
2020-03-19 16:26:51 +01:00 |
|
|
|
655a30d78f
|
Add "The Quest for Highly Accurate Excitation Energies: A Computational Perspective review" to other publications
|
2020-03-18 15:34:59 +01:00 |
|
|
|
36eec9e7b2
|
FIx code for other publications
|
2020-03-18 15:34:16 +01:00 |
|
|
|
78aea33f81
|
Merge branch 'QUEST#1' into QUEST#3
|
2020-03-18 15:02:20 +01:00 |
|
|
|
ac60bbb978
|
Merge branch 'publis.yaml' into TBE
|
2020-03-18 14:54:37 +01:00 |
|
|
|
b6d180c933
|
Delete old file format
|
2020-03-18 14:27:47 +01:00 |
|
|
|
7d8528ac49
|
Fix typo
|
2020-03-18 13:38:49 +01:00 |
|
|
|
cc9e167726
|
Fix formaldehyde STEOM bad method
|
2020-03-17 19:00:44 +01:00 |
|
|
|
622a7dae6a
|
Fix T1 and oscilatorForces inversion
|
2020-03-17 14:00:31 +01:00 |
|
|
|
97f25af23d
|
Add unsafe assertion
|
2020-03-17 13:48:42 +01:00 |
|
|
|
66e47a46ee
|
Fix FC
|
2020-03-15 17:49:22 +01:00 |
|
|
|
b726587820
|
Don't use array for the value of sdatdic
|
2020-03-14 17:46:12 +01:00 |
|
|
|
df21468622
|
Add assertions
|
2020-03-14 17:29:47 +01:00 |
|
|
|
91781b1c1d
|
Fix number for nitrosomethane CC3 6-31+G(d)
|
2020-03-11 10:52:16 +01:00 |
|
|
|
14446864b5
|
Fix unsafe
|
2020-03-11 10:34:19 +01:00 |
|
|
|
fc44b1e391
|
Fix QUEST#1
|
2020-03-10 19:34:50 +01:00 |
|
|
|
2b7feb4b26
|
Support $\sim$
|
2020-03-10 18:36:05 +01:00 |
|
|
|
fcf71efa1e
|
Regenerate QUEST#1
|
2020-03-10 18:31:13 +01:00 |
|
|
|
0b121ee99c
|
Fix examples
|
2020-03-10 14:21:21 +01:00 |
|
|
|
4d4bf40b0b
|
Create the metarecover tool
|
2020-03-10 12:59:49 +01:00 |
|
|
|
b9822026c4
|
Fix streptocyanine-Ci in example
|
2020-03-09 14:50:50 +01:00 |
|
|
|
b75c6a700c
|
Merge branch 'QUEST#3' into QUEST#2
|
2020-03-08 16:18:34 +01:00 |
|
