From b6b169c1cd5ad510364cf5b33800cad8a6b5272c Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 20 Jun 2024 17:27:21 +0200 Subject: [PATCH] Updated documentation --- src/ao_two_e_ints/cholesky.irp.f | 3 +++ src/utils/linear_algebra.irp.f | 2 +- 2 files changed, 4 insertions(+), 1 deletion(-) diff --git a/src/ao_two_e_ints/cholesky.irp.f b/src/ao_two_e_ints/cholesky.irp.f index 41cdb80d..cdd64a8c 100644 --- a/src/ao_two_e_ints/cholesky.irp.f +++ b/src/ao_two_e_ints/cholesky.irp.f @@ -25,7 +25,10 @@ END_PROVIDER ! Last dimension of cholesky_ao is cholesky_ao_num ! ! 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://www.diva-portal.org/smash/get/diva2:396223/FULLTEXT01.pdf END_DOC integer*8 :: ndim8 diff --git a/src/utils/linear_algebra.irp.f b/src/utils/linear_algebra.irp.f index 20386b30..4e7ca87d 100644 --- a/src/utils/linear_algebra.irp.f +++ b/src/utils/linear_algebra.irp.f @@ -1856,7 +1856,7 @@ subroutine pivoted_cholesky( A, rank, tol, ndim, U) ! ! matrix A is destroyed inside this subroutine ! 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 ! rank is the number of Cholesky vectors depending on tol !