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14 Open 60 Closed
14 Open 60 Closed
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Issues list

CSF truncation
#128 opened Nov 17, 2024 by NastaMauger
2
CIAH, AH based optimizer for the LASSCF (sync) [tag: New Feature]
#122 opened Sep 10, 2024 by JangidBhavnesh
LASSI-LPDFT Unit test is missing.
#118 opened Aug 15, 2024 by JangidBhavnesh
LASSIS memory management scalability Code works for small problems but not for large problems
#90 opened Apr 30, 2024 by MatthewRHermes
1
Convergence issues with LASSIS convergence issues The code has no trouble identifying the right answer, but has trouble getting to it
#87 opened Apr 22, 2024 by JangidBhavnesh
8
[local state-averaging] LASSCF Hessian enhancement New feature or request
#78 opened Mar 25, 2024 by MatthewRHermes
[local state-averaging] H1EZipFCISolver member functions enhancement New feature or request
#77 opened Mar 25, 2024 by MatthewRHermes
FCISolver expects max_memory = remaining memory in PySCF code hygiene Nothing is actually wrong, but the code should be "cleaned up" to elegant conventions
#54 opened Dec 19, 2023 by joannaqw
8
Incomplete support of Abelian point-group symmetry in LASSCF and LASSI enhancement New feature or request
#53 opened Nov 17, 2023 by MatthewRHermes
FCI csf_solver memory usage scalability Code works for small problems but not for large problems
#48 opened Nov 13, 2023 by MatthewRHermes
1
hard limit on fragment numbers in LASSI scalability Code works for small problems but not for large problems
#46 opened Nov 8, 2023 by MatthewRHermes
LASSCF localize_init_guess can't always preserve an ROHF wave function. convergence issues The code has no trouble identifying the right answer, but has trouble getting to it enhancement New feature or request
#45 opened Nov 6, 2023 by MatthewRHermes
1
The word 'LASCI' is used in the code in an inconsistent way throughout class and method names code hygiene Nothing is actually wrong, but the code should be "cleaned up" to elegant conventions
#35 opened Jul 27, 2023 by MatthewRHermes
Cylindrical symmetry point groups incompatible with LAS enhancement New feature or request
#28 opened Jun 16, 2023 by MatthewRHermes
ProTip! Adding no:label will show everything without a label.