|
|
1581ccf70a
|
Changed default for distributed_davidson
|
2018-11-21 12:58:20 +01:00 |
|
|
|
57f2a5597a
|
Using rPT2 for extrapolation
|
2018-11-21 12:33:17 +01:00 |
|
|
|
de90c8cec6
|
Revert "Removed many WF reads"
This reverts commit 5e9cbd49ad.
|
2018-11-21 10:39:25 +01:00 |
|
|
|
5e9cbd49ad
|
Removed many WF reads
|
2018-11-21 10:38:55 +01:00 |
|
|
|
f7dbd8702e
|
Accelerated algorithm for S2
|
2018-11-21 10:26:23 +01:00 |
|
|
|
a8d6f9946b
|
Fixed travis
|
2018-11-20 16:01:08 +01:00 |
|
|
|
8da4aeefa1
|
Adjust /proc/*/oom_adj
|
2018-11-20 14:38:13 +01:00 |
|
Anthony Scemama
|
8f89e3d239
|
Nocurl (#75)
* Documentation
* Improved qp_set_frozen_core
* Changed all ishft
* New install script OK
* Variable level shift in HF
|
2018-11-20 11:33:07 +01:00 |
|
|
|
437c9b53fb
|
Accelerated S2
|
2018-11-20 02:25:16 +01:00 |
|
|
|
72a0f6a262
|
Updated documentation
|
2018-11-07 10:04:36 +01:00 |
|
|
|
145a8df810
|
Fixed N_stated_diag_local bug
|
2018-11-06 22:42:37 +01:00 |
|
|
|
c7aa11c14c
|
CITATION.cff
|
2018-11-05 16:44:51 +01:00 |
|
|
|
1956469e59
|
HF convergence
|
2018-10-30 18:14:22 +01:00 |
|
|
|
b40e50a4a5
|
Merge olympe:~/quantum_package
|
2018-10-30 18:13:46 +01:00 |
|
|
|
fb99b890b1
|
Cleaning
|
2018-10-30 17:35:37 +01:00 |
|
|
|
e2ea95bd04
|
Added MRPT_Utils
|
2018-10-30 17:12:27 +01:00 |
|
|
|
f313e5b740
|
Improved HF convergence
|
2018-10-30 16:00:33 +01:00 |
|
|
|
69fa4dcbaa
|
Merge branch 'master' of https://github.com/scemama/quantum_package
|
2018-10-30 15:54:09 +01:00 |
|
|
|
0c0e5aa366
|
Fixed travis
|
2018-10-30 14:00:38 +01:00 |
|
|
|
a052dba7f2
|
Fixed travis
|
2018-10-30 12:08:39 +01:00 |
|
|
|
7487bf8bf2
|
Fixed travis
|
2018-10-30 10:02:06 +01:00 |
|
|
|
30ee8c1ba3
|
print
|
2018-10-29 18:48:34 +01:00 |
|
|
|
3730372ed9
|
Changed default in level shift
|
2018-10-29 18:38:09 +01:00 |
|
|
|
cd943448a5
|
Bug in variance
|
2018-10-29 18:20:19 +01:00 |
|
|
|
a24db77952
|
Bug in variance/norm
|
2018-10-29 18:00:45 +01:00 |
|
|
|
955f2b0b02
|
Changed default for level shift
|
2018-10-29 17:53:56 +01:00 |
|
|
|
0a7b363c7d
|
Print
|
2018-10-29 16:38:32 +01:00 |
|
|
|
bf68146dc5
|
make_binary.sh
|
2018-10-29 16:36:09 +01:00 |
|
|
|
9f756a51bd
|
make_static
|
2018-10-29 16:29:40 +01:00 |
|
|
|
8274044a7c
|
Check for duplicates in parallel
|
2018-10-29 16:12:37 +01:00 |
|
|
|
9a70059a11
|
Added variance and norm of PT
|
2018-10-29 14:35:29 +01:00 |
|
|
|
7a0a14854a
|
Modified build_static
|
2018-10-24 18:36:39 +02:00 |
|
|
|
fec8deb8e8
|
Forgot NEED in Tools
|
2018-10-24 12:23:12 +02:00 |
|
|
|
cadb6a74dc
|
Minor change in static
|
2018-10-24 12:14:49 +02:00 |
|
|
|
08ab6fab22
|
Fixed travis
|
2018-10-23 23:49:12 +02:00 |
|
|
|
9b1fa6a2fe
|
User's guide
|
2018-10-23 23:43:28 +02:00 |
|
|
|
bc01ff40d7
|
User's guide
|
2018-10-23 23:37:51 +02:00 |
|
|
|
8983614ed0
|
Fixed travis
|
2018-10-23 22:46:05 +02:00 |
|
|
|
f9d4a0e647
|
Added requirements for RTD
|
2018-10-23 01:33:26 +02:00 |
|
|
|
47d625df3b
|
Doc: Started Programming
|
2018-10-23 01:19:44 +02:00 |
|
|
|
1c6991b323
|
Doc: Benchmarks
|
2018-10-23 01:13:32 +02:00 |
|
|
|
d40f7d1568
|
Forgot file
|
2018-10-22 23:35:05 +02:00 |
|
|
|
ffed848fa1
|
References
|
2018-10-19 18:37:58 +02:00 |
|
|
|
c5fa0bfa31
|
Added references
|
2018-10-19 18:20:26 +02:00 |
|
|
|
bf0a68e9b1
|
Fixed travis
|
2018-10-19 17:43:12 +02:00 |
|
|
|
db97464c1e
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2018-10-19 17:09:03 +02:00 |
|
|
|
ff37982d15
|
A lot of cleaning
|
2018-10-19 17:08:38 +02:00 |
|
Anthony Scemama
|
d896285b73
|
Set theme jekyll-theme-modernist
|
2018-10-19 17:02:13 +02:00 |
|
|
|
5b6067ea2f
|
Cleaning plugins
|
2018-10-19 11:32:58 +02:00 |
|
|
|
030ce60c31
|
Start writing documentation for ReadTheDocs.
|
2018-10-19 01:06:18 +02:00 |
|
