From 03003690edecc9e6396ce88c91a3ea12b233cdc6 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Fri, 21 Jun 2019 12:08:58 +0200 Subject: [PATCH] Documentation --- src/determinants/occ_pattern.irp.f | 12 +++++++++++- 1 file changed, 11 insertions(+), 1 deletion(-) diff --git a/src/determinants/occ_pattern.irp.f b/src/determinants/occ_pattern.irp.f index d5f458a0..5f37b289 100644 --- a/src/determinants/occ_pattern.irp.f +++ b/src/determinants/occ_pattern.irp.f @@ -53,7 +53,17 @@ subroutine occ_pattern_to_dets(o,d,sze,n_alpha,Nint) use bitmasks implicit none BEGIN_DOC - ! Generate all possible determinants for a give occ_pattern + ! Generate all possible determinants for a given occ_pattern + ! + ! Input : + ! o : occupation pattern : (doubly occupied, singly occupied) + ! sze : Number of produced determinants, computed by `occ_pattern_to_dets_size` + ! n_alpha : Number of $\alpha$ electrons + ! Nint : N_int + ! + ! Output: + ! d : determinants + ! END_DOC integer ,intent(in) :: Nint integer ,intent(in) :: n_alpha ! Number of alpha electrons