Kevin Gasperich
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ebcd925114
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change dimension of diagonal_Fock_matrix_mo
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2018-06-11 17:55:20 -05:00 |
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4e894dc393
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Removed align
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2017-06-27 20:41:54 +02:00 |
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4cb4d5e416
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Working on Slater dressing
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2017-06-08 22:15:42 +02:00 |
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ab626735de
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Valgrind OK with dsyevr
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2017-06-07 23:31:41 +02:00 |
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c23ca86017
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Introduced DSYEVR
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2017-06-07 23:05:00 +02:00 |
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df92bd52e4
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Fixing travis
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2017-06-07 21:56:46 +02:00 |
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c49720fdae
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Trying to fix travis
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2017-06-06 00:51:40 +02:00 |
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b2e978c170
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Trying to fox travis
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2017-06-06 00:39:35 +02:00 |
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d54d64ded8
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Trying to fix travis
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2017-06-06 00:26:47 +02:00 |
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94828d8fb8
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Removed dsyevd
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2017-06-03 01:23:59 +02:00 |
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7bd75d687b
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Safer dsyevd
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2017-06-03 00:45:44 +02:00 |
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Emmanuel Giner
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27a121bc1b
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added print_hcc and OVB plugin
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2016-02-17 10:52:57 +01:00 |
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824c539800
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Level shift was misplaced
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2016-01-18 23:11:55 +01:00 |
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e4b86d9e2b
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Fixed MP2 and MP2 wf
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2016-01-02 21:45:28 +01:00 |
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dd78dd4324
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Hartree-Fock with less MOs than AOs OK
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2015-11-27 19:14:36 +01:00 |
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f04e6619a5
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Memory allocation bug in Huckel guess corrected
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2015-09-22 13:35:42 +02:00 |
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Thomas Applencourt
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6a91e63cf3
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Move into plugins
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2015-06-17 18:23:56 +02:00 |
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