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eplf
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11 Commits

Author SHA1 Message Date
Anthony Scemama fdaaa4cfe0 One-electron density matrix OK + Bug corrected for phase factors 2011-03-23 13:46:05 +01:00
Anthony Scemama cd0cc7b1a5 Introduced second order density matrix 2011-02-14 12:04:15 +01:00
Anthony Scemama 15082646ca Acceleration of multi-det 2011-02-11 09:11:15 +01:00
Anthony Scemama 6dfe81c8bc Acceleration 2010-12-17 12:03:50 +01:00
Anthony Scemama 921e8429cd Acceleration 2010-12-17 11:31:05 +01:00
Anthony Scemama e2ba2c91ab EPLF MCSCF tested => OK ! 2010-06-09 15:10:14 +02:00
Anthony Scemama e0ce68a4b4 Slater rules seem to be OK. testing... 2010-06-04 15:24:54 +02:00
Anthony Scemama 0d69dec304 Multideterminant corrected. Bug in MPI? 2010-05-28 18:23:27 +02:00
Anthony Scemama 4b123d410f MCSCF density 2010-04-28 16:07:18 +02:00
Anthony Scemama 6d29b1d8c9 Improved Makefile and configure 2009-12-04 10:42:19 +01:00
Anthony Scemama 3e97da35f5 First working version. 2009-10-12 17:37:07 +02:00