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Fix q space #53

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Fix q space #53

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halvarsu
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Refactoring of OATDCC-code to allow a working q-space, i.e. different sizes of the original- and OA-bases.

@Schoyen Schoyen self-requested a review June 17, 2020 09:43
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Schoyen commented Jun 17, 2020

To all users of OATDCC (@haakoek, @tbpedersen, @gregwinther), it is worth pointing out that this merge will force the use of a GeneralOrbitalSystem with a Coulomb interaction tensor that is not antisymmetrized. This is to accommodate a more similar behaviour for OATDCC with or without the Q-space set to zero.

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This is very true, and is due to the antisymmetric matrix elements never actually being used in the original basis (the basis in the system). They are however used in their original form in the Q-space equations.

Tests are still failing, but it seems to be due to unrelated functions

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