Anthony Scemama
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711c7ce5e3
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Minor bugs
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2012-09-21 11:18:49 +02:00 |
Anthony Scemama
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32af225063
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Bug in max size of density matrix
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2012-06-01 11:23:54 +02:00 |
Anthony Scemama
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8a1c7a03a8
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Bugs
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2012-05-31 22:43:06 +02:00 |
Anthony Scemama
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57f3d60e52
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Bug
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2011-05-28 10:56:18 +02:00 |
Anthony Scemama
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f37354d98c
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Acceleration with a large number of dets
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2011-05-25 09:47:00 +02:00 |
Anthony Scemama
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2b22d66cef
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Bug
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2011-03-30 19:40:29 +02:00 |
Anthony Scemama
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f6ad2c1a29
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Bug
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2011-03-23 16:25:48 +01:00 |
Anthony Scemama
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d4607cc3f9
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Checkpoint of density matrices
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2011-03-23 15:49:40 +01:00 |
Anthony Scemama
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fdaaa4cfe0
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One-electron density matrix OK + Bug corrected for phase factors
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2011-03-23 13:46:05 +01:00 |
Anthony Scemama
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cd0cc7b1a5
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Introduced second order density matrix
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2011-02-14 12:04:15 +01:00 |
Anthony Scemama
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15082646ca
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Acceleration of multi-det
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2011-02-11 09:11:15 +01:00 |
Anthony Scemama
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6dfe81c8bc
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Acceleration
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2010-12-17 12:03:50 +01:00 |
Anthony Scemama
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921e8429cd
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Acceleration
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2010-12-17 11:31:05 +01:00 |
Anthony Scemama
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e2ba2c91ab
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EPLF MCSCF tested => OK !
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2010-06-09 15:10:14 +02:00 |
Anthony Scemama
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e0ce68a4b4
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Slater rules seem to be OK. testing...
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2010-06-04 15:24:54 +02:00 |
Anthony Scemama
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0d69dec304
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Multideterminant corrected. Bug in MPI?
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2010-05-28 18:23:27 +02:00 |
Anthony Scemama
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4b123d410f
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MCSCF density
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2010-04-28 16:07:18 +02:00 |
Anthony Scemama
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6d29b1d8c9
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Improved Makefile and configure
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2009-12-04 10:42:19 +01:00 |
Anthony Scemama
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3e97da35f5
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First working version.
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2009-10-12 17:37:07 +02:00 |