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quantum_package/tests
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Thomas Applencourt 4ce217a354 n_det_max in in dets, and PT2_max and var_pt2_max are in Perturbation. Delete all the multiple occurance
2015-05-12 15:14:54 +02:00
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unit_test n_det_max in in dets, and PT2_max and var_pt2_max are in Perturbation. Delete all the multiple occurance 2015-05-12 15:14:54 +02:00
Ethylen_input_gamess.zip add Ethylen_input_gamess.zip 2015-03-23 11:20:43 +01:00
ethylen.CAS1212.gms.out add create_excitations.irp.f 2015-03-18 11:38:55 +01:00
HBO.out Add qp_convert_from_output to test 2015-04-16 11:34:26 +02:00
HBO.xyz Change SO2 for HBO in unitest (test need to be fast) 2015-05-05 10:33:22 +02:00
methane.xyz add create_excitations.irp.f 2015-03-18 11:38:55 +01:00
SO2.xyz Add Pseudo Unit Test for SO2 2015-05-05 10:28:04 +02:00