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Sparse dvr #38

Merged
merged 35 commits into from
Sep 21, 2020
Merged

Sparse dvr #38

merged 35 commits into from
Sep 21, 2020

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halvarsu
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Use the library sparse to represent the sparse u-matrix elements. Since sparse does not yet have an einsum-implementation, all einsum-calls have to be rewritten to tensordot if this is going to work. Is this a feasible and/or desirable task?

@Schoyen Schoyen self-requested a review March 18, 2020 10:37
halvarsu added 27 commits March 18, 2020 12:58
@halvarsu
use np.diagonal and np.sum instead of trace and einsum
2e0eefc
@halvarsu
stupid bug
ff8b747
@halvarsu
quickly fix gos (not tested)
bb8806d
@halvarsu
disable change_module, remove redundant functions
9989239
@halvarsu
remove import
b058176
@halvarsu
temporarily break everything, but works for sparse matrices (though m…
605bcba 
…ight be horribly inefficient)
@halvarsu
Revert "temporarily break everything, but works for sparse matrices (…
1b06b5e 
…though might be horribly inefficient)"

This reverts commit 605bcba.
@halvarsu
Merge branch 'master' into sparse_dvr
ff840c7
@halvarsu
Smarter update_hamiltonian
a449108
@halvarsu
fix bug
c8e7a04
@halvarsu
fix bug
95b334d
@halvarsu
add hacky methods for sparse to work
745c838
@halvarsu
Merge branch 'sparse_dvr' of https://github.com/Schoyen/quantum-systems…
7bd6be1 
… into sparse_dvr
@halvarsu
remove antisymmetrize for 2d u, change sparse_repr
f27078f
@halvarsu
allow passing keywordargs to trannsform_two_body_elements
f115b86
@halvarsu
Rename l_dvr -> l
e71da22
@halvarsu
Fix hanging u_repr
289cf0d
@halvarsu
fix bug
25c2ac2
@halvarsu
add parameter
926cfc5
@halvarsu
Merge branch 'master' into sparse_dvr
5088ab7
@halvarsu
fix 4d get_coord
970c357
@halvarsu
add partial transform of u
0cdcfcc
@halvarsu
remove sparse.COO-representation
7fd72a8
@halvarsu
allow complex potentials
c29c008
@halvarsu
remove redundant elements
de798e1
@halvarsu
Add derivatives for HO and atomic potentials
92be156
@halvarsu
converting to gos is super easy with this one special trick
df8e388
Schoyen
Schoyen requested changes Sep 18, 2020
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@Schoyen Schoyen left a comment

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This looks good all in all. There's only a few small comments, and maybe we need to discuss the handling of the spin-squared operator for DVR?

quantum_systems/quantum_dots/one_dim/one_dim_potentials.py Show resolved Hide resolved
quantum_systems/sinc_dvr/one_dim/sinc_dvr.py Outdated Show resolved Hide resolved
quantum_systems/sinc_dvr/one_dim/sinc_dvr.py Show resolved Hide resolved
quantum_systems/sinc_dvr/one_dim/sinc_dvr.py Show resolved Hide resolved
@Schoyen
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Schoyen commented Sep 18, 2020

Hmm, come to think of it, you need to merge with master first. This pull request looks to be a little behind.

@halvarsu
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halvarsu commented Sep 18, 2020 •
edited
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Huh, doesn't github show merge-commits from master?

Anyways, it has been done now.

@Schoyen Schoyen self-requested a review September 21, 2020 08:41
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Schoyen commented Sep 21, 2020

Lets do the merge! 🍾

@Schoyen Schoyen merged commit f3b31fb into master Sep 21, 2020
@Schoyen Schoyen deleted the sparse_dvr branch September 21, 2020 10:57
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@Schoyen Schoyen Schoyen approved these changes

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@halvarsu @Schoyen