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add state_dm

jonasleitnerpushed 1 commit to excitedstates • 3d19006…a643530 • 
15 hours ago

port dataframe export

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jonasleitnerforce pushed to excitedstates • 3495dc6…3d19006 • 
15 hours ago

port dataframe export

jonasleitnerpushed 2 commits to excitedstates • 1bde7fd…3495dc6 • 
15 hours ago

basic restructuring for excited state properties

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jonasleitnerforce pushed to excitedstates • e9e7856…1bde7fd • 
2 days ago

basic restructuring for excited state properties

jonasleitnerpushed 1 commit to excitedstates • 0d45a3a…e9e7856 • 
2 days ago

add _module member variable to dispatch to the corresponding working …

jonasleitnercreated excitedstates • 0d45a3a • 
3 days ago

Bump version: 0.15.17 → 0.16.0

jonasleitnerpushed 1 commit to master • 279b2a4…cbc6046 • 
5 days ago

merge master

maxscheurerpushed 11 commits to gradients • 65bfcc3…164b41e • 
5 days ago

Update authors (#194)

Pull request merge
apapapostoloupushed 1 commit to master • 88b786e…279b2a4 • 
12 days ago

Additional operator integrals and selection of gauge origin (#169)

Pull request merge
apapapostoloupushed 1 commit to master • f5662a8…88b786e • 
12 days ago

Deleted branch

apapapostoloudeleted davidson_linear_dependence • 
12 days ago

Fix orthgonality loss in Davidson using Gram-Schmidt reorthogonalisat…

Pull request merge
apapapostoloupushed 1 commit to master • cc47611…f5662a8 • 
12 days ago

add codecov token in CI

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jonasleitnerforce pushed to davidson_linear_dependence • 898f3aa…9807e5b • 
16 days ago

add codecov token in CI

jonasleitnerpushed 1 commit to davidson_linear_dependence • fa395b5…898f3aa • 
16 days ago

Make operator definitions consistent (#190)

Pull request merge
apapapostoloupushed 1 commit to master • 42cd363…cc47611 • 
20 days ago

more explicit n_block test

jonasleitnerpushed 1 commit to davidson_linear_dependence • 2f581bf…fa395b5 • 
25 days ago

add more davidson tests

jonasleitnerpushed 1 commit to davidson_linear_dependence • 3e14e3c…2f581bf • 
25 days ago

only update entries for the last n_ss_added vectors in the projected …

jonasleitnerpushed 1 commit to davidson_linear_dependence • 7e16d23…3e14e3c • 
25 days ago

move n_block sanity checks to eigsh

jonasleitnerpushed 1 commit to davidson_linear_dependence • 3c86843…7e16d23 • 
27 days ago

adapt tests to changed number of guesses

jonasleitnerpushed 1 commit to davidson_linear_dependence • 00a3cbe…3c86843 • 
28 days ago

* Davidson block size as keyword argument 'n_block' and corresponding…

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jonasleitnerforce pushed to davidson_linear_dependence • 94c7cc0…00a3cbe • 
28 days ago

* Davidson block size as keyword argument 'n_block' and corresponding…

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jonasleitnerforce pushed to davidson_linear_dependence • d203805…94c7cc0 • 
28 days ago

change libopenblas

AdrianLDempwolffpushed 2 commits to davidson_linear_dependence • 94c7cc0…d203805 • 
28 days ago

* Davidson block size as keyword argument 'n_block' and corresponding…

AdrianLDempwolffpushed 1 commit to davidson_linear_dependence • 2a0fbf4…94c7cc0 • 
28 days ago

Deleted branch

jonasleitnerdeleted fix_publish • 
28 days ago

Merge pull request #193 from adc-connect/fix_publish

Pull request merge
jonasleitnerpushed 2 commits to master • 022875c…42cd363 • 
28 days ago

change libopenblas

apapapostoloucreated fix_publish • 8fec360 • 
28 days ago

Deleted branch

apapapostoloudeleted qchem_test_data • 
28 days ago

Refactor tests (#189)

Pull request merge
apapapostoloupushed 1 commit to master • fcdfa10…022875c • 
28 days ago

adapt remove_test_files

jonasleitnerpushed 1 commit to qchem_test_data • 1b405b7…df160fd • 
on Feb 27