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RelaxSE
RelaxSE-Code
Commits
69b25fbc
Commit
69b25fbc
authored
3 years ago
by
Marie bernadette Lepetit
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dens diag act compile
parent
db7b58c4
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2 merge requests
!5
Implementation of the density matrix
,
!4
Implementation of the density matrix
Pipeline
#10332
failed
3 years ago
Stage: build
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69b25fbc
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@@ -262,9 +262,7 @@ Program proprietes
write
(
f_output
,
*
)
write
(
f_output
,
*
)
" >>> One particule density matrix"
write
(
f_output
,
*
)
" Not yet implemented"
call
dens
(
ndet
,
nvec
,
nblock
,
psi
,
det
,
d
,
rspin
,
&
g_info
,
o_info
,
int_info
,
prog_info
,&
rho_tot
,
rho_spin
)
call
dens
(
ndet
,
nvec
,
psi
,
det
,
d
,
rspin
,
o_info
,
rho_tot
,
rho_spin
)
end
select
end
do
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