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implemented a frist try to include symmetry into interactionAssessment routine
2008-05-21
rieger
im
p
lement
e
d a frist t
r
y
t
o in
c
lude symmetr
y
into
in
t
erac
t
ion
.
.
.
commit
|
commitdiff
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tree
2008-05-21
rieger
added symm
e
try parsing section
to
L
att
i
ceParser
.
cp
p
commit
|
commitdiff
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tree
2008-05-21
ri
e
ge
r
added "Symmetr
y
Operation
s
s
ymmetry" to Lattice
.
h, lattice
.
.
.
commit
|
commitdiff
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tree
2008-05-21
rieger
d
eleted Symm
e
tryParser
inclu
d
ing in
cluster_ex
p
an
s
i
o
n
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieg
e
r
c
h
anged symme
t
ry section name to [
S
ymmetry]
.
.
.
ext
e
nding
.
.
.
commit
|
commitdiff
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tree
2008-05-21
rieger
tried S
y
mmet
r
y
.
h impleme
n
ta
t
io
n
simi
l
ar t
o
Intera
c
t
i
ons
.
h
commit
|
commitdiff
|
tree
2008-05-21
rieg
e
r
c
h
a
ng
e
d inte
r
ac
t
ion ve
c
tor normal
i
z
ation to cell size
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieg
e
r
changed value
c
hecking for interaction parameters
.
commit
|
commitdiff
|
tree
2008-05-21
ri
e
ger
changed usage of
S
izeX, Si
z
eY as unit cell d
e
scriptors
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
Merge commit '
o
rigin/dev_work_dani'
i
n
to dev_work
commit
|
commitdiff
|
tree
2008-05-21
rieger
st
a
r
t
of ad
d
ing
s
ymm
e
tr
y
parsing to La
t
ticeParser
.
c
pp
commit
|
commitdiff
|
tree
2008-05-16
rieger
switched executa
b
l
e
flag in clu
s
te
r
_
expansion
.
c
p
p
commit
|
commitdiff
|
tree
2008-05-16
rie
g
er
imp
l
em
e
ntation
o
f
f
unct
i
o
n checkI
n
teractions
commit
|
commitdiff
|
tree
2008-05-14
r
i
e
g
er
moved
c
heckInt
e
ractions
f
ro
m
InteractionsPa
r
se
r
t
o
.
.
.
commit
|
commitdiff
|
tree
2008-05-14
Michael Rieger
deleted addi
t
iona
l
tab
s
commit
|
commitdiff
|
tree
2008-05-13
rieger
a
dded
c
h
eck_inter
a
ti
o
ns
ro
u
tine to InteractionsParser
.
cpp
commit
|
commitdiff
|
tree
2008-05-13
ri
e
ger
no cha
n
ges
commit
|
commitdiff
|
tree
2008-05-09
r
i
eger
a
dd
e
d file
s
of experimental sym
m
e
try impl
e
mentati
o
n
commit
|
commitdiff
|
tree
2008-05-09
rie
g
er
added some tryout to implement symmetry
commit
|
commitdiff
|
tree
2008-05-07
rieger
fixed
some syntax
commit
|
commitdiff
|
tree
2008-05-07
rieger
edited output rout
i
ne for di
r
ections
commit
|
commitdiff
|
tree
2008-05-07
r
i
eger
changed interactions ini, to check fo
r
proper
t
reatme
n
t
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
ri
e
ger
a
dded
some variable output
for
de
b
ugging
commit
|
commitdiff
|
tree
2008-05-07
r
ieg
e
r
put inc
r
e
menting and resetting of resize_factor and
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
rieger
add
e
d strdup duplicatio
n
of k->pItem, using this
a
s
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
rieger
several at
t
empt
s
to get po
i
nters and
derefe
r
encing
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
rie
g
er
no compilation errors
f
or t
h
i
s
version
commit
|
commitdiff
|
tree
2008-05-06
r
i
ege
r
next try us
i
ng ist
r
ingstrea
m
obj
e
ct
commit
|
commitdiff
|
tree
2008-05-06
rieger
ever
a
l at
t
e
mpts to get
typ
m
a
tching right with all
.
.
.
commit
|
commitdiff
|
tree
2008-05-05
rieger
delete
d
"" in interacti
o
n
s name
commit
|
commitdiff
|
tree
2008-04-30
rieger
added c
o
ntr
o
l output of variable
t
otal_interactio
n
s
.
.
.
commit
|
commitdiff
|
tree
2008-04-30
rie
g
er
changed symmetri
e
encod
i
ng in structur
e
.
i
ni
commit
|
commitdiff
|
tree
2008-04-30
r
i
eger
edited read_i
n
i
_inte
r
action
s
, adde
d
some co
n
trol output
commit
|
commitdiff
|
tree
2008-04-30
Micha
e
l Ri
e
ger
added
c
ontr
u
ctor loop for directions
array as an attempt
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
r
i
eger
some tests for correct name assignment -
n
ot successful
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
rieger
reading r
o
utine for interact
i
ons
.
in
i
commit
|
commitdiff
|
tree
2008-04-29
rieger
ad
d
ed enums for i
n
teractions parameters to int
e
r
a
ction
s
.
.
.
commit
|
commitdiff
|
tree
2008-04-24
rieger
added intera
c
t
io
n
s
.
ini fil
e
t
o
b
e
tracke
d
as well
commit
|
commitdiff
|
tree
2008-04-24
rieger
try to implement prope
r
d
a
ta struc
t
ure fo
r
interactions
.
.
.
commit
|
commitdiff
|
tree
2008-04-21
rieger
added
e
xplanations in
.
in
i
f
i
le
commit
|
commitdiff
|
tree
2008-04-18
rieg
e
r
added includes for
p
r
op
e
r com
p
iling und
e
r
linux
commit
|
commitdiff
|
tree
2008-04-17
Mi
c
hael Rie
g
e
r
chan
g
ed CObr_p
o
s index to index
shifted
f
orm
for gettin
g
.
.
.
commit
|
commitdiff
|
tree
2008-04-17
Michael
R
i
e
ger
edited filling ro
u
tine to check for cause of error
commit
|
commitdiff
|
tree
2008-04-16
M
ic
h
ael Rieger
fina
l
format definit
i
on
of structure
.
i
ni file
commit
|
commitdiff
|
tree
2008-04-11
Michael R
i
e
g
er
change
d
input ini
to check
i
f getting
mu
l
tiple v
a
l
u
es
.
.
.
commit
|
commitdiff
|
tree
2008-04-11
Michael Rieger
modified input
.
ini
commit
|
commitdiff
|
tree
2008-04-10
M
i
chael Rieger
added latt
i
ce i
n
i
t
ialization
commit
|
commitdiff
|
tree
2008-04-10
Michael
R
ieger
added comparing
ke
y
s of input f
i
le to strin
g
keyword
s
.
.
.
commit
|
commitdiff
|
tree
2008-04-09
Mic
h
ael Rieger
edited output r
o
utine and deleted t
m
p directory to
.
.
.
commit
|
commitdiff
|
tree
2008-04-09
Michae
l
Rieger
w
orking in input readi
n
g rou
t
ine
commit
|
commitdiff
|
tree
2008-04-08
Mi
c
hael Rieger
ad
d
ed
ouput routine f
o
r all sections i
n
.
ini file
commit
|
commitdiff
|
tree
2008-04-07
Michael Rie
g
er
added using Blitz++ library
commit
|
commitdiff
|
tree
2008-04-05
Michae
l
R
i
e
g
er
added
"
to do" to read_i
n
i subroutine
commit
|
commitdiff
|
tree
2008-04-05
M
i
chael
Rieger
e
d
i
t
ed input
.
ini file
,
giv
i
ng f
i
r
st [c
e
ll] section
.
.
.
commit
|
commitdiff
|
tree
2008-04-05
Mi
c
hael Rieg
e
r
add
e
d Simp
l
eIn
i
fil
e
s
commit
|
commitdiff
|
tree
2008-04-05
Micha
e
l Rieger
added input
.
ini file
commit
|
commitdiff
|
tree
2008-04-05
Michael
R
ieger
added subroutine f
o
r input file reading
commit
|
commitdiff
|
tree
2008-04-05
Michael Rie
g
e
r
add
e
d
Debug dire
c
t
o
ry to
.
gitignor
e
, added
.
gitignore
commit
|
commitdiff
|
tree
2008-04-05
Micha
e
l R
i
eger
added eclip
s
e
configurat
i
on
f
i
les
commit
|
commitdiff
|
tree
2008-04-05
Mic
h
ael Rie
g
er
initial check in f
o
r cluster expa
n
sion projec
t
for
.
.
.
commit
|
commitdiff
|
tree