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Commits
b06d3a34
Commit
b06d3a34
authored
Jan 09, 2022
by
Francois Gygi
Browse files
Print rcm in status command only
parent
f42973ca
Changes
3
Hide whitespace changes
Inline
Side-by-side
src/BOSampleStepper.cpp
View file @
b06d3a34
...
...
@@ -510,7 +510,6 @@ void BOSampleStepper::step(int niter)
}
}
cout
<<
"</atomset>"
<<
endl
;
cout
<<
"<rcm> "
<<
atoms
.
rcm
()
<<
"</rcm>"
<<
endl
;
cout
<<
setprecision
(
6
);
cout
<<
"<unit_cell_a_norm> "
<<
atoms
.
cell
().
a_norm
(
0
)
<<
" </unit_cell_a_norm>"
<<
endl
;
...
...
src/CPSampleStepper.cpp
View file @
b06d3a34
...
...
@@ -196,7 +196,6 @@ void CPSampleStepper::step(int niter)
}
}
cout
<<
"</atomset>"
<<
endl
;
cout
<<
"<rcm> "
<<
atoms
.
rcm
()
<<
"</rcm>"
<<
endl
;
}
if
(
s_
.
constraints
.
size
()
>
0
)
...
...
src/StatusCmd.h
View file @
b06d3a34
...
...
@@ -71,8 +71,11 @@ class StatusCmd : public Cmd
s
->
wfv
->
info
(
cout
,
"wfv"
);
if
(
ui
->
onpe0
()
)
{
cout
<<
"<rcm> "
<<
s
->
atoms
.
rcm
()
<<
" </rcm>"
<<
endl
;
cout
<<
"<vcm> "
<<
s
->
atoms
.
vcm
()
<<
" </vcm>"
<<
endl
;
setprecision
(
8
);
cout
<<
"<rcm> "
<<
setprecision
(
8
)
<<
s
->
atoms
.
rcm
()
<<
" </rcm>"
<<
endl
;
cout
<<
"<vcm> "
<<
setprecision
(
8
)
<<
s
->
atoms
.
vcm
()
<<
" </vcm>"
<<
endl
;
}
return
0
;
}
...
...
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