|
|
fb5432abe0
|
Better target_pt2_ratio_zmq
|
2016-12-26 19:02:53 +01:00 |
|
|
|
956c1e4680
|
target_pt2_ratio_zmq
|
2016-12-26 17:38:26 +01:00 |
|
|
|
8cbe460f17
|
Introduces PT2max ZMQ
|
2016-12-26 17:11:44 +01:00 |
|
|
|
0653c435cd
|
Travis
|
2016-12-19 14:24:43 +01:00 |
|
|
|
d5eb7a1963
|
Corrected tests
|
2016-12-19 14:13:26 +01:00 |
|
|
|
f7943d74f7
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2016-12-19 13:27:54 +01:00 |
|
|
|
3e37fcd12b
|
Wf analyzis
|
2016-12-19 13:27:16 +01:00 |
|
|
|
bf02a9b3ef
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2016-12-15 12:10:55 +01:00 |
|
|
|
bbc6065f25
|
Improved parallelism in davidson
|
2016-12-15 12:10:43 +01:00 |
|
Thomas Applencourt
|
032d3e2f7e
|
Merge pull request #177 from scemama/master
Finalized MR-CCSD
|
2016-12-13 11:57:18 -06:00 |
|
|
|
2f517fe52c
|
Fixed tests
|
2016-12-13 18:36:50 +01:00 |
|
|
|
f85d467d79
|
Corrected travis
|
2016-12-13 17:09:10 +01:00 |
|
|
|
c911db7f8e
|
Accelerated u0_h_u0
|
2016-12-13 12:40:12 +01:00 |
|
|
|
683189855a
|
De-symmetrized u0_H_u0
|
2016-12-13 12:29:48 +01:00 |
|
|
|
fcf621e5e0
|
Removed comments
|
2016-12-13 09:41:41 +01:00 |
|
|
|
348032f200
|
Solved MRPT_Utils problem
|
2016-12-12 21:26:01 +01:00 |
|
Anthony Scemama
|
2b1c8cd5d8
|
Merge pull request #46 from LCPQ/master
Merge LCPQ
|
2016-12-12 21:24:51 +01:00 |
|
|
|
c07fa3ad36
|
Merge branch 'develop' of github.com:scemama/quantum_package into develop
|
2016-12-12 14:24:39 +01:00 |
|
|
|
05539f8a66
|
Merge branch 'develop'
|
2016-12-12 14:24:05 +01:00 |
|
|
|
8348862975
|
More applications of H in fci_zmq
|
2016-12-12 14:22:52 +01:00 |
|
|
|
2077a310db
|
Merge branch 'develop'
|
2016-12-12 12:24:02 +01:00 |
|
|
|
f2719e33f5
|
Fixed mrcc=2
|
2016-12-12 12:16:56 +01:00 |
|
|
|
b9255c1a51
|
Minor changes
|
2016-12-09 15:52:55 +01:00 |
|
|
|
ee29506352
|
Accelerated amplitudes
|
2016-12-08 22:57:31 +01:00 |
|
|
|
5e4d5a62e4
|
Randomized multiplet guess
|
2016-12-07 20:51:58 +01:00 |
|
|
|
c07b0381b7
|
Acceleration of Davidson for Nint>1
|
2016-12-06 11:31:15 +01:00 |
|
Emmanuel Giner
|
eda249e631
|
final version of MRPT, at least I hope
|
2016-12-05 15:10:53 +01:00 |
|
|
|
e6c8cf2e25
|
Merge branch 'master' into develop
|
2016-12-05 09:40:42 +01:00 |
|
|
|
ca9d34864b
|
threshold davidson = thres * 100
|
2016-12-05 09:28:04 +01:00 |
|
|
|
cc66ed86db
|
Minor changes
|
2016-12-03 18:58:07 +01:00 |
|
|
|
33ee115062
|
Removed gmp and zarith dependencies by forcing cryptokit 1.10
|
2016-12-02 16:20:02 +01:00 |
|
|
|
073cce6150
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2016-12-02 16:17:27 +01:00 |
|
|
|
cde801f276
|
Added missing file
|
2016-12-02 13:24:58 +01:00 |
|
|
|
8ac3771c64
|
Fixed install_ocaml.sh
|
2016-12-02 12:47:25 +01:00 |
|
|
|
366b0b66c2
|
Updated travis script
|
2016-12-02 12:07:19 +01:00 |
|
|
|
07b48ef2f7
|
Updated install scripts
|
2016-12-02 12:04:38 +01:00 |
|
Anthony Scemama
|
d1e89b94a1
|
Update README.md
|
2016-12-02 11:09:48 +01:00 |
|
Anthony Scemama
|
1ea5e17339
|
Update README.md
|
2016-12-02 11:09:20 +01:00 |
|
|
|
d45d53be71
|
Trying Multi-state
|
2016-12-01 16:28:56 +01:00 |
|
|
|
3924fdc4b0
|
Merge branch 'develop' of github.com:scemama/quantum_package into develop
|
2016-12-01 09:49:07 +01:00 |
|
|
|
e6db22dfd7
|
Fixed travis
|
2016-12-01 09:46:36 +01:00 |
|
|
|
f9fce87440
|
Removed radomization
|
2016-11-30 22:49:03 +01:00 |
|
|
|
3adf8cdcb7
|
Accelerated MRSC2
|
2016-11-30 21:20:36 +01:00 |
|
|
|
eb8f1757ab
|
Accelerated MRSC2
|
2016-11-30 20:57:24 +01:00 |
|
|
|
e9b7135b83
|
Fixed: Bug in Davdison and Davidson_MRCC
|
2016-11-30 20:09:50 +01:00 |
|
|
|
f186827ee7
|
Tests can run for 10min
|
2016-11-30 19:46:59 +01:00 |
|
|
|
a444967089
|
Added -v to test
|
2016-11-30 19:23:14 +01:00 |
|
|
|
222497d6ed
|
Fixed Travis
|
2016-11-30 18:53:13 +01:00 |
|
|
|
bc1e564f17
|
Fixed Travis
|
2016-11-30 18:07:14 +01:00 |
|
|
|
afcac055ca
|
Merge branch 'develop'
|
2016-11-30 17:12:46 +01:00 |
|
