|
|
c52dcd8846
|
Removed debug in trexio
|
2022-12-31 12:48:26 +01:00 |
|
|
|
16d5b14f36
|
Added svdwf module
|
2020-09-30 20:44:53 +02:00 |
|
|
|
4a9ced7303
|
Added bounds check
|
2020-03-10 09:44:59 +01:00 |
|
|
|
409ad536e0
|
Optimized curly_W and Fock
|
2019-09-23 20:03:13 +02:00 |
|
|
|
dc915d31d7
|
Optimized r1_cc
|
2019-09-23 18:48:48 +02:00 |
|
|
|
444ea0206b
|
Dgemmized CC
|
2019-09-23 17:47:55 +02:00 |
|
|
|
e39a069fd5
|
Using dgemm in r2_cc
|
2019-09-19 16:19:11 +02:00 |
|
|
|
b6c41bb9d0
|
Optimizing r2_cc
|
2019-09-18 00:52:53 +02:00 |
|
|
|
1a10877cdd
|
Optimizing r2_cc
|
2019-09-17 23:25:40 +02:00 |
|
|
|
1fa7c93458
|
Cleaning
|
2019-09-14 15:07:26 +02:00 |
|
|
|
34c08ae5a6
|
Removed r1 and r2
|
2019-09-14 15:01:09 +02:00 |
|
|
|
8b131877c4
|
Curly Fock
|
2019-09-14 14:42:46 +02:00 |
|
|
|
3e6b874f9e
|
Removed tau
|
2019-09-14 14:32:41 +02:00 |
|
|
|
10ae28d78d
|
Removed taus
|
2019-09-14 14:28:30 +02:00 |
|
|
|
56c3466c42
|
Removed t1, t2
|
2019-09-14 14:25:53 +02:00 |
|
|
|
a6e87526b1
|
Removed nO nV
|
2019-09-14 14:15:25 +02:00 |
|
|
|
170f59c9cd
|
Swap loop indices in CC
|
2019-09-13 21:30:17 +02:00 |
|
|
|
baa350efb1
|
General CCSD
|
2019-09-11 17:09:30 +02:00 |
|
|
|
217a828b15
|
Single-ref amplitudes OK
|
2019-09-10 17:09:01 +02:00 |
|
|
|
c4b7fda051
|
Created amplitudes module
|
2019-09-10 16:35:14 +02:00 |
|
|
|
6778974ae5
|
Guess amplitudes OK
|
2019-09-10 13:35:20 +02:00 |
|
|
|
aee13ced42
|
Working on CC
|
2019-09-09 17:48:01 +02:00 |
|
|
|
c69525722a
|
fork CC from mveril and pfloos
|
2019-09-09 16:51:15 +02:00 |
|
