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1dfc8979be
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Reduced nb of tooth fillings
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2017-02-01 17:53:53 +01:00 |
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fe5f640346
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Corrected bug in pt2stoch
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2017-02-01 17:00:39 +01:00 |
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ca0f0732c2
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Corrected bug in pt2_find
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2017-02-01 16:35:47 +01:00 |
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832585a6ca
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Acceleration of pt2_find
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2017-02-01 15:17:50 +01:00 |
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848fda1836
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Fixed n_core
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2017-02-01 14:15:18 +01:00 |
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17386004bd
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Acceleration of pt2_find
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2017-02-01 14:06:57 +01:00 |
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3bbc3980c5
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Corrected bug in pt2stoch
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2017-02-01 11:39:59 +01:00 |
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f56246b456
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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
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Corrected bug in PT2
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2017-01-31 21:52:31 +01:00 |
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cdd59910ff
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Corrected for use with new irpf90
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2017-01-31 21:48:47 +01:00 |
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67fded7d18
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work on pt2 stoch
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2017-01-30 20:15:28 +01:00 |
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097083db47
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Repaired selection
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2017-01-30 09:38:04 +01:00 |
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b08ced8741
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Simplification
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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
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Bugs+fragments
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2017-01-25 16:24:02 +01:00 |
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Yann Garniron
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ca64c99c38
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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
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Amazing new things
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2017-01-18 16:06:23 +01:00 |
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Yann Garniron
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786be9222e
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merge with scemama master
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2017-01-18 16:02:29 +01:00 |
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Yann Garniron
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1045bed51e
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Forgot pt2_stoch
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2017-01-18 15:59:14 +01:00 |
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Yann Garniron
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48adebac20
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bug correction - fixed zlib link
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2017-01-18 15:53:51 +01:00 |
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Yann GARNIRON
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042024f424
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teeth filling
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2017-01-18 08:42:17 +01:00 |
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ffe7eb1fae
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Forgot pt2_stoch.irp.f
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2017-01-16 18:51:01 +01:00 |
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9d754cdaee
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PT2 stoch OK
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2017-01-16 18:19:00 +01:00 |
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2fe656d418
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Cochonneries
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2017-01-16 16:31:49 +01:00 |
|
Yann Garniron
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e93cd9cf32
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results given during iteration
|
2017-01-16 14:05:24 +01:00 |
|
Yann Garniron
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4908a68983
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fixed fragmentation
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2017-01-13 08:15:36 +01:00 |
|
Yann Garniron
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28f1c57697
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removed single selection
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2017-01-12 17:34:42 +01:00 |
|
Yann Garniron
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414a798168
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merge with MASTER
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2017-01-12 16:48:34 +01:00 |
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Yann Garniron
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9e11ebdc72
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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
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c525fddf44
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forgot file
|
2017-01-12 15:46:10 +01:00 |
|
Yann Garniron
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fb1fa1af38
|
hard-coded fragmentation of first generators
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2017-01-12 15:09:27 +01:00 |
|
Yann Garniron
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6881056eaf
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pt2 slave
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2017-01-05 15:27:05 +01:00 |
|
Yann Garniron
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5f21ec66e2
|
working
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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
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e1d014aa41
|
init
|
2017-01-04 10:06:41 +01:00 |
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fb5432abe0
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Better target_pt2_ratio_zmq
|
2016-12-26 19:02:53 +01:00 |
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956c1e4680
|
target_pt2_ratio_zmq
|
2016-12-26 17:38:26 +01:00 |
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8cbe460f17
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Introduces PT2max ZMQ
|
2016-12-26 17:11:44 +01:00 |
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348032f200
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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 |
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8348862975
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More applications of H in fci_zmq
|
2016-12-12 14:22:52 +01:00 |
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ca9d34864b
|
threshold davidson = thres * 100
|
2016-12-05 09:28:04 +01:00 |
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d45d53be71
|
Trying Multi-state
|
2016-12-01 16:28:56 +01:00 |
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bc1e564f17
|
Fixed Travis
|
2016-11-30 18:07:14 +01:00 |
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520bb45be8
|
Accelerated selection
|
2016-11-22 13:03:23 +01:00 |
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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 |
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3407b6df85
|
Resized array energy
|
2016-11-16 21:28:10 +01:00 |
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