 Anthony Scemama
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a8254ef73c
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Removed ZMQ_PUSH
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2017-12-18 11:05:12 +01:00 |
|
Anthony Scemama
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f2da24ae4c
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Fixed psi_coef I/O bug
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2017-12-08 11:49:58 +01:00 |
|
Anthony Scemama
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97297f68a8
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FCI with NOS
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2017-12-07 10:02:59 +01:00 |
|
Anthony Scemama
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2dea5ea1af
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Indentation
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2017-11-29 13:56:48 +01:00 |
|
Anthony Scemama
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f7831c033a
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Fixed read wf
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2017-11-29 12:17:01 +01:00 |
|
Anthony Scemama
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c476aa1159
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MPI with I/O
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2017-11-28 14:20:17 +01:00 |
|
Anthony Scemama
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1a5a4d5ff2
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Introduced MPI for EZFIO accesses
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2017-11-28 01:05:28 +01:00 |
|
Anthony Scemama
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99cbe9cfe3
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Stabilized parallel calculations
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2017-11-27 02:04:05 +01:00 |
|
Anthony Scemama
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d6ac6e6e73
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Debugging
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2017-11-26 11:15:58 +01:00 |
|
Anthony Scemama
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e0bd14a122
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N_states saved with natorb
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2017-11-20 15:48:36 +01:00 |
|
Anthony Scemama
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14eb5b4a42
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Multi-state PT2 OK
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2017-11-20 15:19:00 +01:00 |
|
Anthony Scemama
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06fc8cd8e1
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Working on truncate_wf
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2017-10-09 14:14:27 +02:00 |
|
Anthony Scemama
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7ac793cc52
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Working on truncate_wf
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2017-10-06 15:41:44 +02:00 |
|
Anthony Scemama
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631ef5b54c
|
Fixed GPI2
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2017-08-15 17:56:23 +02:00 |
|
Anthony Scemama
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e1b090b76b
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Fixed selection
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2017-05-10 20:42:14 +02:00 |
|
Anthony Scemama
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859aa648fc
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Accelerated selection : no more O(N2)
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2017-05-10 15:06:03 +02:00 |
|
Anthony Scemama
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1d6593a288
|
pedantic changes
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2017-04-12 19:29:21 +02:00 |
|
Anthony Scemama
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3adf8cdcb7
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Accelerated MRSC2
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2016-11-30 21:20:36 +01:00 |
|
Anthony Scemama
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eb8f1757ab
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Accelerated MRSC2
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2016-11-30 20:57:24 +01:00 |
|
Anthony Scemama
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45183fdd8d
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Fixed mrcc_selected
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2016-11-29 17:54:10 +01:00 |
|
Anthony Scemama
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80805e7abc
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N_det_generators <= N_det_selectors
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2016-09-27 09:28:34 +02:00 |
|
Anthony Scemama
|
72bff78dba
|
Normalize in input of Davidson
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2016-09-26 20:34:16 +02:00 |
|
Anthony Scemama
|
a30a00bab9
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Moved n_states_diag
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2016-09-25 23:28:25 +02:00 |
|
Anthony Scemama
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dc287d7fe2
|
Changed N_states
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2016-09-24 02:05:54 +02:00 |
|
Anthony Scemama
|
98059e87f5
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Extracting davidson from slater rules
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2016-09-20 17:29:02 +02:00 |
Yann Garniron
|
18084047e4
|
compiles - does not work
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2016-09-05 17:16:09 +02:00 |
|
Yann Garniron
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db3c8bb87b
|
init - not working
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2016-09-01 14:43:13 +02:00 |
|
Yann Garniron
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e2e28fb301
|
merge with scemama/develop
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2016-07-27 16:06:44 +02:00 |
|
Yann Garniron
|
03958d15a4
|
experimental - reversed past and futur
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2016-07-21 15:28:22 +02:00 |
|
Yann Garniron
|
ee257c3d6f
|
merge with LCPQ
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2016-07-06 16:15:47 +02:00 |
|
Yann Garniron
|
33bd506328
|
working mrcc
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2016-05-20 09:44:22 +02:00 |
|
Anthony Scemama
|
9cb9139537
|
Remove dead code
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2016-02-19 15:07:38 +01:00 |
|
Anthony Scemama
|
20a857c446
|
Distributed PT2
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2016-02-19 00:20:28 +01:00 |
|
Emmanuel Giner
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bc6c26fb73
|
Add the FOBOCI routines
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2016-02-17 17:15:54 +01:00 |
|
Anthony Scemama
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1e15823494
|
Added guess_lowest_state
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2015-11-12 01:08:04 +01:00 |
|
Manu
|
a08101a3b7
|
Pull ok
|
2015-07-15 14:04:56 +02:00 |
|
Manu
|
69250d7a2e
|
Minor modiffs
|
2015-07-15 14:01:06 +02:00 |
|
Anthony Scemama
|
05124ab5d4
|
Cleaned MRCC in MRCC_Utils
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2015-07-13 18:00:38 +02:00 |
|
Anthony Scemama
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bfddb4f9d9
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Added EZFIO.cfg and s2_eig test in diag
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2015-05-06 15:05:08 +02:00 |
|
Thomas Applencourt
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bf997c5583
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Add all the mising file...
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2015-04-20 18:42:52 +02:00 |
|
Thomas Applencourt
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3b59fca0c7
|
Add EZFIO.cfg in determinants
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2015-04-20 15:20:38 +02:00 |