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Updated documentation

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Anthony Scemama 2024-06-20 17:27:21 +02:00
parent 70317b2a15
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2 changed files with 4 additions and 1 deletions
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3
src/ao_two_e_ints/cholesky.irp.f
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@ -25,7 +25,10 @@ END_PROVIDER
! Last dimension of cholesky_ao is cholesky_ao_num ! Last dimension of cholesky_ao is cholesky_ao_num
! !
! https://mogp-emulator.readthedocs.io/en/latest/methods/proc/ProcPivotedCholesky.html ! https://mogp-emulator.readthedocs.io/en/latest/methods/proc/ProcPivotedCholesky.html
!
! https://doi.org/10.1016/j.apnum.2011.10.001 : Page 4, Algorithm 1 ! https://doi.org/10.1016/j.apnum.2011.10.001 : Page 4, Algorithm 1
!
! https://www.diva-portal.org/smash/get/diva2:396223/FULLTEXT01.pdf
END_DOC END_DOC
integer*8 :: ndim8 integer*8 :: ndim8

2
src/utils/linear_algebra.irp.f
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@ -1856,7 +1856,7 @@ subroutine pivoted_cholesky( A, rank, tol, ndim, U)
! !
! matrix A is destroyed inside this subroutine ! matrix A is destroyed inside this subroutine
! Cholesky vectors are stored in U ! Cholesky vectors are stored in U
! dimension of U: U(1:rank, 1:n) ! dimension of U: U(1:n, 1:rank)
! U is allocated inside this subroutine ! U is allocated inside this subroutine
! rank is the number of Cholesky vectors depending on tol ! rank is the number of Cholesky vectors depending on tol
! !