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Laurell, Pontus Bengt Johan
dmrgpp
Commits
127a05ea
Commit
127a05ea
authored
Sep 03, 2019
by
Alvarez, Gonzalo
Browse files
honeycomb.pl pulled coordinates into module
parent
75386cb0
Changes
1
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Inline
Side-by-side
scripts/honeycomb.pl
View file @
127a05ea
...
...
@@ -6,6 +6,8 @@ use strict;
use
warnings
;
use
utf8
;
use
List::
Util
qw( min max )
;
use
lib
"
.
";
use
Honeycomb
;
my
(
$templateInput
,
$templateTex
)
=
@ARGV
;
defined
(
$templateInput
)
or
die
"
USAGE: $0 templateInput [templateTex]
\n
";
...
...
@@ -355,12 +357,8 @@ sub honeycomb
my
@ptsy
;
my
$ncmatrix
=
{"
data
"
=>
\
@nc
,
"
rows
"
=>
$ncrows
,
"
cols
"
=>
$nccols
};
print
"
\n
ncrows=
",
$ncrows
,
"
, nccols=
",
$nccols
,"
\n
";
if
(
$isArmchairX
){
honeycombArmchairSetSiteCoordinates
(
\
@tindx
,
\
@tindy
,
\
@ptsx
,
\
@ptsy
,
$ncmatrix
,
$lx
,
$ly
,
$isHash
);
}
else
{
honeycombZigzagSetSiteCoordinates
(
\
@tindx
,
\
@tindy
,
\
@ptsx
,
\
@ptsy
,
$ncmatrix
,
$lx
,
$ly
,
$isHash
);
}
Honeycomb::
setSiteCoordinates
(
\
@tindx
,
\
@tindy
,
\
@ptsx
,
\
@ptsy
,
$ncmatrix
,
$lx
,
$ly
,
$isHash
);
#### ===============================================
my
$xmax
=
max
@ptsx
;
...
...
@@ -706,166 +704,6 @@ sub honeycombArmchairSetThirdNeigh
}
}
sub
honeycombZigzagSetSiteCoordinates
{
my
(
$tindx
,
$tindy
,
$ptsx
,
$ptsy
,
$ncmatrix
,
$lx
,
$ly
,
$isHash
)
=
@_
;
my
$isPeriodicX
=
$isHash
->
{"
isPeriodicX
"};
my
$isPeriodicY
=
$isHash
->
{"
isPeriodicY
"};
my
$isLeft
=
$isHash
->
{"
isLeft
"};
my
(
$scalex
,
$scaley
)
=
(
2.0
,
4.0
/
sqrt
(
3.0
));
### right is the default
### x-scale is scaled by 2 and y is scaled by 4/sqrt(3)
my
@t1
=
(
2
,
0
);
#(1.0*$scalex, 0*$scaley); ### [2,0]
my
@t2
=
(
1
,
2
);
#(0.5*$scalex,sqrt(3.0)/2.0 *$scaley); ### [1,2]
if
(
$isLeft
)
{
### x-scale is scaled by 2 and y is scaled by 4/sqrt(3)
@t1
=
(
2
,
0
);
#(1.0*$scalex, 0*$scaley); ### [2,0]
@t2
=
(
1
,
2
);
#(-0.5*$scalex, sqrt(3.0)/2.0 *$scaley); ### [1,2]
}
my
$ncrows
=
$ncmatrix
->
{"
rows
"};
my
$counter
=
0
;
for
(
my
$i
=
0
;
$i
<
$lx
;
++
$i
)
{
my
$xv
=
$i*$t1
[
0
];
my
$txv
=
$i
;
my
$x0
=
$xv
;
my
$y0
=
0
;
my
$tx0
=
$txv
;
my
$ty0
=
0
;
my
$sign
=
(
$isLeft
)
?
-
1
:
1
;
my
$x1
=
$xv
+
$sign
;
my
$y1
=
1.0
;
my
$tx1
=
$txv
+
0.5
*$sign
;
my
$ty1
=
0.5
/
sqrt
(
3.0
);
for
(
my
$j
=
0
;
$j
<
$ly
;
++
$j
)
{
my
$cxa
=
int
(
$x0
+
$j*$t2
[
0
]);
my
$cxb
=
int
(
$x1
+
$j*$t2
[
0
]);
my
$cya
=
int
(
$y0
+
$j*$t2
[
1
]);
my
$cyb
=
int
(
$y1
+
$j*$t2
[
1
]);
my
$txa
=
$tx0
+
$j*$t2
[
0
]
/
$scalex
;
my
$txb
=
$tx1
+
$j*$t2
[
0
]
/
$scalex
;
my
$tya
=
$ty0
+
$j*$t2
[
1
]
/
$scaley
;
my
$tyb
=
$ty1
+
$j*$t2
[
1
]
/
$scaley
;
$tindx
->
[
$counter
]
=
$txa
;
$tindy
->
[
$counter
]
=
$tya
;
#print x0, y0, cxa, cya
push
@$ptsx
,
$cxa
;
push
@$ptsy
,
$cya
;
$ncmatrix
->
{"
data
"}
->
[
$cxa
+
$cya*$ncrows
]
=
$counter
++
;
$tindx
->
[
$counter
]
=
$txb
;
$tindy
->
[
$counter
]
=
$tyb
;
push
@$ptsx
,
$cxb
;
push
@$ptsy
,
$cyb
;
$ncmatrix
->
{"
data
"}
->
[
$cxb
+
$cyb*$ncrows
]
=
$counter
++
;
}
}
}
sub
honeycombArmchairSetSiteCoordinates
{
my
(
$tindx
,
$tindy
,
$ptsx
,
$ptsy
,
$ncmatrix
,
$lx
,
$ly
,
$isHash
)
=
@_
;
my
$isPeriodicX
=
$isHash
->
{"
isPeriodicX
"};
my
$isPeriodicY
=
$isHash
->
{"
isPeriodicY
"};
my
$isLeft
=
$isHash
->
{"
isLeft
"};
my
(
$scalex
,
$scaley
)
=
(
1.0
,
2.0
/
sqrt
(
3.0
));
### right is the default
### x-scale is scaled by 2 and y is scaled by 4/sqrt(3)
my
@t1
=
(
3
,
0
);
#(1.0*$scalex, 0*$scaley); ### [2,0]
my
@t2
=
(
0
,
2
);
#(0.5*$scalex,sqrt(3.0)/2.0 *$scaley); ### [1,2]
if
(
$isLeft
)
{
### x-scale is scaled by 2 and y is scaled by 4/sqrt(3)
@t1
=
(
3
,
0
);
#(1.0*$scalex, 0*$scaley); ### [2,0]
@t2
=
(
0
,
2
);
#(-0.5*$scalex, sqrt(3.0)/2.0 *$scaley); ### [1,2]
}
my
$ncrows
=
$ncmatrix
->
{"
rows
"};
my
$counter
=
0
;
for
(
my
$i
=
0
;
$i
<
$lx
;
++
$i
)
{
my
$xv
=
$i
*
4
;
my
$txv
=
3
*$i
;
#Sublattice A
my
$x0
=
$xv
;
my
$y0
=
0
;
my
$tx0
=
$txv
;
my
$ty0
=
0
;
#Sublattice B
my
$sign
=
(
$isLeft
)
?
-
1
:
1
;
my
$x1
=
$xv
+
$sign
;
my
$y1
=
1.0
;
my
$tx1
=
$txv
+
0.5
*$sign
;
my
$ty1
=
1
./
$scaley
;
#Sublattice C
my
$x2
=
$xv
+
2
*$sign
;
my
$y2
=
$y1
;
my
$tx2
=
$txv
+
1.5
*$sign
;
my
$ty2
=
$ty1
;
#Sublattice D
my
$x3
=
$xv
+
3
*$sign
;
my
$y3
=
$y0
;
my
$tx3
=
$txv
+
2
*$sign
;
my
$ty3
=
$ty0
;
for
(
my
$j
=
0
;
$j
<
$ly
;
++
$j
)
{
my
$cxa
=
int
(
$x0
+
$j*$t2
[
0
]);
my
$cxb
=
int
(
$x1
+
$j*$t2
[
0
]);
my
$cxc
=
int
(
$x2
+
$j*$t2
[
0
]);
my
$cxd
=
int
(
$x3
+
$j*$t2
[
0
]);
my
$cya
=
int
(
$y0
+
$j*$t2
[
1
]);
my
$cyb
=
int
(
$y1
+
$j*$t2
[
1
]);
my
$cyc
=
int
(
$y2
+
$j*$t2
[
1
]);
my
$cyd
=
int
(
$y3
+
$j*$t2
[
1
]);
my
$txa
=
$tx0
+
$j*$t2
[
0
]
/
$scalex
;
my
$txb
=
$tx1
+
$j*$t2
[
0
]
/
$scalex
;
my
$txc
=
$tx2
+
$j*$t2
[
0
]
/
$scalex
;
my
$txd
=
$tx3
+
$j*$t2
[
0
]
/
$scalex
;
my
$tya
=
$ty0
+
$j*$t2
[
1
]
/
$scaley
;
my
$tyb
=
$ty1
+
$j*$t2
[
1
]
/
$scaley
;
my
$tyc
=
$ty2
+
$j*$t2
[
1
]
/
$scaley
;
my
$tyd
=
$ty3
+
$j*$t2
[
1
]
/
$scaley
;
$tindx
->
[
$counter
]
=
$txa
;
$tindy
->
[
$counter
]
=
$tya
;
#print x0, y0, cxa, cya
push
@$ptsx
,
$cxa
;
push
@$ptsy
,
$cya
;
$ncmatrix
->
{"
data
"}
->
[
$cxa
+
$cya*$ncrows
]
=
$counter
++
;
$tindx
->
[
$counter
]
=
$txb
;
$tindy
->
[
$counter
]
=
$tyb
;
push
@$ptsx
,
$cxb
;
push
@$ptsy
,
$cyb
;
$ncmatrix
->
{"
data
"}
->
[
$cxb
+
$cyb*$ncrows
]
=
$counter
++
;
$tindx
->
[
$counter
]
=
$txc
;
$tindy
->
[
$counter
]
=
$tyc
;
push
@$ptsx
,
$cxc
;
push
@$ptsy
,
$cyc
;
$ncmatrix
->
{"
data
"}
->
[
$cxc
+
$cyc*$ncrows
]
=
$counter
++
;
$tindx
->
[
$counter
]
=
$txd
;
$tindy
->
[
$counter
]
=
$tyd
;
push
@$ptsx
,
$cxd
;
push
@$ptsy
,
$cyd
;
$ncmatrix
->
{"
data
"}
->
[
$cxd
+
$cyd*$ncrows
]
=
$counter
++
;
}
}
}
sub
honeycombZigzagPlot
{
my
(
$indx
,
$indy
,
$tindx
,
$tindy
,
$n1neighmatrix
,
$ncmatrix
,
$isHash
)
=
@_
;
...
...
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