Anthony Scemama
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ce07d1dc50
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Bug in density
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2012-03-08 13:10:33 +01:00 |
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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 |
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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 |
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Anthony Scemama
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921e8429cd
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Acceleration
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2010-12-17 11:31:05 +01:00 |
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Anthony Scemama
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70da3da1cc
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Bug in density
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2010-06-10 16:53:46 +02:00 |
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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 |
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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 |
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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 |
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Anthony Scemama
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cc7163ebd3
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Bug in density
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2010-04-29 12:59:30 +02:00 |
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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 |
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Anthony Scemama
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6fcf244b85
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Lpalacian of density
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2009-10-30 10:44:03 +01:00 |
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Anthony Scemama
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75ad773cbd
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ELF added
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2009-10-29 18:57:46 +01:00 |
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688fe8a722
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Preparation for SourceForge
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2009-09-29 13:42:56 +02:00 |
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