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Scientific Software
Takin
mag-core
Commits
bdb4db8b
Commit
bdb4db8b
authored
Jun 28, 2020
by
Tobias WEBER
Browse files
adapted to tlibs2 changes
parent
75626e5f
Changes
7
Hide whitespace changes
Inline
Side-by-side
tools/cif2xml/cif2xml.cpp
View file @
bdb4db8b
...
...
@@ -14,7 +14,7 @@
using
t_real
=
double
;
using
t_vec
=
std
::
vec
tor
<
t_real
>
;
using
t_vec
=
tl2
::
vec
<
t_real
,
std
::
vector
>
;
using
t_mat
=
tl2
::
mat
<
t_real
,
std
::
vector
>
;
constexpr
t_real
g_eps
=
1e-6
;
...
...
tools/cif2xml/findsg.cpp
View file @
bdb4db8b
...
...
@@ -15,7 +15,7 @@
using
t_real
=
double
;
using
t_vec
=
std
::
vec
tor
<
t_real
>
;
using
t_vec
=
tl2
::
vec
<
t_real
,
std
::
vector
>
;
using
t_mat
=
tl2
::
mat
<
t_real
,
std
::
vector
>
;
constexpr
t_real
g_eps
=
1e-6
;
...
...
tools/magstructfact/magstructfact.h
View file @
bdb4db8b
...
...
@@ -33,8 +33,8 @@
using
t_real
=
double
;
using
t_cplx
=
std
::
complex
<
t_real
>
;
using
t_vec
=
std
::
vec
tor
<
t_real
>
;
using
t_vec_cplx
=
std
::
vec
tor
<
t_cplx
>
;
using
t_vec
=
tl2
::
vec
<
t_real
,
std
::
vector
>
;
using
t_vec_cplx
=
tl2
::
vec
<
t_cplx
,
std
::
vector
>
;
using
t_mat
=
tl2
::
mat
<
t_real
,
std
::
vector
>
;
using
t_mat_cplx
=
tl2
::
mat
<
t_cplx
,
std
::
vector
>
;
...
...
tools/moldyn/moldyn-loader.h
View file @
bdb4db8b
...
...
@@ -317,7 +317,7 @@ class MolDyn
if
(
frameskip
||
iNumConfigs
%
100
)
{
std
::
cout
<<
"
\r
Reading "
<<
strConfig
<<
". "
<<
unsigned
{
percentage
}
<<
" %. "
;
<<
static_cast
<
unsigned
>
(
percentage
)
<<
" %. "
;
std
::
cout
.
flush
();
}
...
...
@@ -374,7 +374,7 @@ class MolDyn
std
::
size_t
filepos
=
tl2
::
get_file_pos
(
ifstr
);
percentage
=
t_real
{
filepos
*
100
}
/
t_real
{
filesize
}
;
percentage
=
static_cast
<
t_real
>
(
filepos
*
100
)
/
static_cast
<
t_real
>
(
filesize
)
;
if
(
m_sigLoadProgress
.
num_slots
()
&&
!*
m_sigLoadProgress
(
percentage
))
{
std
::
cerr
<<
"
\n
Loading cancelled."
<<
std
::
endl
;
...
...
@@ -438,7 +438,7 @@ class MolDyn
}
}
percentage
=
t_real
{
(
frame
+
1
)
*
100
}
/
t_real
{
m_frames
.
size
()
}
;
percentage
=
static_cast
<
t_real
>
(
(
frame
+
1
)
*
100
)
/
static_cast
<
t_real
>
(
m_frames
.
size
()
)
;
if
(
m_sigSaveProgress
.
num_slots
()
&&
!*
m_sigSaveProgress
(
percentage
))
{
std
::
cerr
<<
"
\n
Saving cancelled."
<<
std
::
endl
;
...
...
@@ -448,7 +448,7 @@ class MolDyn
if
(
frame
%
100
)
{
std
::
cout
<<
"
\r
Saving configuration "
<<
(
frame
+
1
)
<<
" of "
<<
m_frames
.
size
()
<<
". "
<<
unsigned
{
percentage
}
<<
" %. "
;
<<
static_cast
<
unsigned
>
(
percentage
)
<<
" %. "
;
std
::
cout
.
flush
();
}
}
...
...
tools/moldyn/moldyn.h
View file @
bdb4db8b
...
...
@@ -27,7 +27,7 @@
using
t_real
=
double
;
using
t_vec
=
std
::
vec
tor
<
t_real
>
;
using
t_vec
=
tl2
::
vec
<
t_real
,
std
::
vector
>
;
using
t_mat
=
tl2
::
mat
<
t_real
,
std
::
vector
>
;
...
...
tools/pol/pol.cpp
View file @
bdb4db8b
...
...
@@ -33,7 +33,7 @@ using namespace tl2_ops;
using
t_real
=
double
;
using
t_cplx
=
std
::
complex
<
t_real
>
;
using
t_vec
=
std
::
vec
tor
<
t_cplx
>
;
using
t_vec
=
tl2
::
vec
<
t_cplx
,
std
::
vector
>
;
using
t_mat
=
tl2
::
mat
<
t_cplx
,
std
::
vector
>
;
using
t_matvec
=
std
::
vector
<
t_mat
>
;
...
...
tools/structfact/structfact.h
View file @
bdb4db8b
...
...
@@ -33,7 +33,7 @@
using
t_real
=
double
;
using
t_cplx
=
std
::
complex
<
t_real
>
;
using
t_vec
=
std
::
vec
tor
<
t_real
>
;
using
t_vec
=
tl2
::
vec
<
t_real
,
std
::
vector
>
;
using
t_vec_cplx
=
std
::
vector
<
t_cplx
>
;
using
t_mat
=
tl2
::
mat
<
t_real
,
std
::
vector
>
;
using
t_mat_cplx
=
tl2
::
mat
<
t_cplx
,
std
::
vector
>
;
...
...
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