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Fix Forte [Forte Part] #290
Fix Forte [Forte Part] #290
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I am OK with the PR, thanks!
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Thanks for all these changes. With the new DIIS code things are much more compact. I left a few comments. Let's first merge the ambit and psi4 changes and then merge this in forte.
@@ -70,7 +70,6 @@ using namespace pybind11::literals; | |||
namespace forte { | |||
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// see the files in src/api for the implementation of the following methods | |||
void export_ambit(py::module& m); |
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It's great to see code removed!
Ambit and Psi PRs are in, so tests should pass. |
Codecov Report
@@ Coverage Diff @@
## master #290 +/- ##
==========================================
+ Coverage 59.59% 65.74% +6.14%
==========================================
Files 201 198 -3
Lines 50564 50170 -394
==========================================
+ Hits 30135 32985 +2850
+ Misses 20429 17185 -3244
Continue to review full report at Codecov.
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Wow, thanks for all this hard work! Happy to see the green checkmark back 😄.
Description
This PR makes changes so that
Psi
can do DIIS on anambit.BlockedTensor
, as required by theforte
plugin. This PR will not work until this ambit PR and this Psi PR are merged, but passed locally on a slightly outdated version of Forte.ambit.BlockedTensor
directly, with much cleaner code.ambit.BlockedTensor
to Python. We now import whateverambit
exposes for us.