@@ -3,22 +3,23 @@ program rmixaccumulate
33 implicit none
44 integer :: i,ii,j,jj,k,kk,l,ios,err
55 integer :: nelec, ncftot, nw, nvectot, nvecsize, nblock
6- integer :: nb, nevblk(200 ), iatjp, iaspa
6+ integer :: nb, nevblk(200 ), iatjp, iaspa
77 integer :: ivec
8- integer :: nrelorb, indexans, co(200 )
8+ integer :: nrelorb, indexans, co(200 )
99 integer , allocatable :: checkcsf(:,:), ind(:,:), ind2(:,:), ncfblk(:)
1010 integer , allocatable :: ncfblockout(:)
1111
1212 double precision :: eav,eval
1313 double precision :: dc2evec, totc2evecblk, c2evecblklim
1414 double precision , allocatable :: evec(:,:,:),c2evec(:,:)
1515
16- character (len= 200 ) :: state, file1, file2
16+ character (len= 200 ) :: state, file1, file2
1717 character (len= 600 ) :: header(5 ), string
18- character (len= 5 ) :: relorbitals(200 )
18+ character (len= 5 ) :: relorbitals(200 )
1919 character (len= 6 ) :: G92MIX
2020 character (len= 1 ) :: ciflag,sortflag
21- character (len= 200 ), allocatable :: conf(:,:), coupling(:,:), spin(:,:)
21+ ! character(len=200), allocatable :: conf(:,:), coupling(:,:), spin(:,:)
22+ character (len= 256 ), allocatable :: conf(:,:), coupling(:,:), spin(:,:)
2223 write (* ,* ) ' ***************************************************************************'
2324 write (* ,* ) ' Welcome to program rmixaccumulate'
2425 write (* ,* )
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