LCPQ/quantum_package
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368 Commits 6 Branches 5 Tags 93 MiB
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10 Commits

Author SHA1 Message Date
Manu
7f6e33b9be Merge branch 'master' of github.com:LCPQ/quantum_package 
Conflicts:
	src/AOs/aos.irp.f
	src/Dets/determinants.irp.f
	src/NEEDED_MODULES
 2015-01-07 18:05:09 +01:00
Anthony Scemama
e3fff202b8 Added MD5 key in AOs for check in MOs 2014-12-26 00:17:34 +01:00
Anthony Scemama
0b40cf663a Improved qp_edit 2014-11-27 23:05:26 +01:00
Manu
5a49f18d65 Minor modifs 2014-11-12 14:26:57 +01:00
Anthony Scemama
c1cbf80080 Input_cisd_sc2.ml 2014-10-21 22:18:57 +02:00
Anthony Scemama
85709d2fd4 Eigenstate of S^2 OK 2014-10-15 10:08:00 +02:00
Manu
590cc9574b Working on S^2 2014-10-07 16:23:19 +02:00
Anthony Scemama
466fb8eb50 Safer thresholds in integrals 2014-09-22 22:00:42 +02:00
Anthony Scemama
17c71c3162 Selectors and generators default -> 0.999 of norm 2014-09-06 01:04:48 +02:00
Anthony Scemama
942b9339c6 Added ezfio_defaults in data 2014-07-29 14:23:33 +02:00