LCPQ/quantum_package
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498 Commits 6 Branches 5 Tags 93 MiB
00be8bc06a
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9 Commits

Author SHA1 Message Date
Thomas Applencourt
00be8bc06a precision for unit test set to 5.e-8 2015-03-31 13:41:20 +02:00
Thomas Applencourt
0a8d393dbc BiInt => Bielec_integrals 2015-03-31 10:51:11 +02:00
Thomas Applencourt
c484b9cf93 Set parameter in unit_test.py 2015-03-30 11:57:42 +02:00
Thomas Applencourt
757b785f30 Fix unit_test 2015-03-30 11:47:56 +02:00
Thomas Applencourt
125e7d4c8f Add doc and global varialbe in unit_test 2015-03-30 10:37:11 +02:00
Thomas Applencourt
aa7bfdc46d Beter unit test 2015-03-30 10:15:35 +02:00
Thomas Applencourt
d9e6c9f708 First try of unit test 2015-03-27 19:04:08 +01:00
Manu
c6cc9716fb add Ethylen_input_gamess.zip 2015-03-23 11:20:43 +01:00
Manu
31dc7cc641 add create_excitations.irp.f 2015-03-18 11:38:55 +01:00