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LCPQ
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quantum_package
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quantum_package
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Thomas Applencourt
8bf723dcfc
Mega cleaning.
2015-06-02 18:17:59 +02:00
..
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
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