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b6b8f7bcba
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Accelerated selection
|
2017-02-01 18:57:20 +01:00 |
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1dfc8979be
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Reduced nb of tooth fillings
|
2017-02-01 17:53:53 +01:00 |
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fe5f640346
|
Corrected bug in pt2stoch
|
2017-02-01 17:00:39 +01:00 |
|
|
ca0f0732c2
|
Corrected bug in pt2_find
|
2017-02-01 16:35:47 +01:00 |
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832585a6ca
|
Acceleration of pt2_find
|
2017-02-01 15:17:50 +01:00 |
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848fda1836
|
Fixed n_core
|
2017-02-01 14:15:18 +01:00 |
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|
17386004bd
|
Acceleration of pt2_find
|
2017-02-01 14:06:57 +01:00 |
|
|
3bbc3980c5
|
Corrected bug in pt2stoch
|
2017-02-01 11:39:59 +01:00 |
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f56246b456
|
Merge branch 'master' of github.com:scemama/quantum_package
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2017-02-01 11:29:38 +01:00 |
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aac30f9b66
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Removed PUSH/PULL
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2017-02-01 11:29:17 +01:00 |
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edc3cde211
|
Corrected bug in PT2
|
2017-01-31 21:52:31 +01:00 |
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cdd59910ff
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Corrected for use with new irpf90
|
2017-01-31 21:48:47 +01:00 |
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67fded7d18
|
work on pt2 stoch
|
2017-01-30 20:15:28 +01:00 |
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097083db47
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Repaired selection
|
2017-01-30 09:38:04 +01:00 |
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b08ced8741
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Simplification
|
2017-01-25 18:52:44 +01:00 |
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9e73ed6b1c
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Efficient fragmentation
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2017-01-25 17:42:25 +01:00 |
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27dd2420dd
|
Bugs+fragments
|
2017-01-25 16:24:02 +01:00 |
|
Yann Garniron
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ca64c99c38
|
Merge branch 'master' of https://github.com/scemama/quantum_package
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2017-01-18 16:06:48 +01:00 |
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9ef173e058
|
Amazing new things
|
2017-01-18 16:06:23 +01:00 |
|
Yann Garniron
|
786be9222e
|
merge with scemama master
|
2017-01-18 16:02:29 +01:00 |
|
Yann Garniron
|
1045bed51e
|
Forgot pt2_stoch
|
2017-01-18 15:59:14 +01:00 |
|
Yann Garniron
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48adebac20
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bug correction - fixed zlib link
|
2017-01-18 15:53:51 +01:00 |
|
Yann GARNIRON
|
042024f424
|
teeth filling
|
2017-01-18 08:42:17 +01:00 |
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ffe7eb1fae
|
Forgot pt2_stoch.irp.f
|
2017-01-16 18:51:01 +01:00 |
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|
9d754cdaee
|
PT2 stoch OK
|
2017-01-16 18:19:00 +01:00 |
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2fe656d418
|
Cochonneries
|
2017-01-16 16:31:49 +01:00 |
|
Yann Garniron
|
e93cd9cf32
|
results given during iteration
|
2017-01-16 14:05:24 +01:00 |
|
Yann Garniron
|
4908a68983
|
fixed fragmentation
|
2017-01-13 08:15:36 +01:00 |
|
Yann Garniron
|
28f1c57697
|
removed single selection
|
2017-01-12 17:34:42 +01:00 |
|
Yann Garniron
|
414a798168
|
merge with MASTER
|
2017-01-12 16:48:34 +01:00 |
|
Yann Garniron
|
9e11ebdc72
|
Merge branch 'master' of https://github.com/scemama/quantum_package into scemama-master
Conflicts:
plugins/Full_CI_ZMQ/selection_double.irp.f
src/Davidson/diagonalization_hs2.irp.f
|
2017-01-12 16:19:39 +01:00 |
|
Yann Garniron
|
c525fddf44
|
forgot file
|
2017-01-12 15:46:10 +01:00 |
|
Yann Garniron
|
fb1fa1af38
|
hard-coded fragmentation of first generators
|
2017-01-12 15:09:27 +01:00 |
|
Yann Garniron
|
6881056eaf
|
pt2 slave
|
2017-01-05 15:27:05 +01:00 |
|
Yann Garniron
|
5f21ec66e2
|
working
|
2017-01-04 14:44:18 +01:00 |
|
Yann Garniron
|
d1e52144d3
|
bias at long runtime
|
2017-01-04 13:41:37 +01:00 |
|
Yann Garniron
|
e1d014aa41
|
init
|
2017-01-04 10:06:41 +01:00 |
|
|
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 |
|
|
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 |
|
|
8348862975
|
More applications of H in fci_zmq
|
2016-12-12 14:22:52 +01:00 |
|
|
ca9d34864b
|
threshold davidson = thres * 100
|
2016-12-05 09:28:04 +01:00 |
|
|
d45d53be71
|
Trying Multi-state
|
2016-12-01 16:28:56 +01:00 |
|
|
bc1e564f17
|
Fixed Travis
|
2016-11-30 18:07:14 +01:00 |
|
|
520bb45be8
|
Accelerated selection
|
2016-11-22 13:03:23 +01:00 |
|
|
c2a7d25615
|
FCI stops exactly at the required number of determinants
|
2016-11-22 12:55:42 +01:00 |
|
Yann Garniron
|
aebc386a3e
|
removed selection_single
|
2016-11-21 13:45:32 +01:00 |
|
Thomas Applencourt
|
1b5166cecc
|
Merge pull request #176 from scemama/master
CAS_SD_ZMQ
|
2016-11-16 18:15:01 -06:00 |
|