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added Structure.h file for Structure data structure
2008-05-22
rie
g
er
added Structur
e
.
h
file f
o
r Struct
u
re d
a
ta
s
tructu
r
e
commit
|
commitdiff
|
tree
2008-05-21
rieger
implemented a
f
rist try t
o
i
nclude
s
ymmet
r
y int
o
int
e
raction
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
a
d
ded symmetry
p
arsin
g
s
ection
t
o
L
atticeParser
.
cpp
commit
|
commitdiff
|
tree
2008-05-21
r
ieger
added "Sym
m
e
tryOpera
t
i
o
ns symmetry" to Lattice
.
h, lattice
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
riege
r
delet
e
d SymmetryParser i
n
clud
i
n
g
in cluster
_
ex
p
an
s
ion
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
c
h
anged symme
t
ry section name t
o
[
S
ymmetry]
.
.
.
extendin
g
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
r
ieger
t
r
ied
S
ymmetry
.
h
i
mplementati
o
n similar to I
n
teractions
.
h
commit
|
commitdiff
|
tree
2008-05-21
riege
r
change
d
interactio
n
vector normaliza
t
i
on to cel
l
size
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
riege
r
changed value ch
e
cking fo
r
i
n
teraction
parameter
s
.
commit
|
commitdiff
|
tree
2008-05-21
rie
g
er
changed
usa
g
e
of Siz
e
X, Size
Y
as unit cell descriptors
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rie
g
er
Mer
g
e
c
ommit 'origin/dev_work_dani' into dev_work
commit
|
commitdiff
|
tree
2008-05-21
riege
r
start of add
i
ng symmet
r
y
parsin
g
to Latti
c
eParser
.
c
p
p
commit
|
commitdiff
|
tree
2008-05-16
rieger
switched executable flag in cluster_
e
xp
a
nsion
.
cpp
commit
|
commitdiff
|
tree
2008-05-16
rieger
i
mplem
e
nt
a
tion of function
c
h
eckI
n
teractions
commit
|
commitdiff
|
tree
2008-05-14
rieger
mov
e
d
check
I
nteractions
f
rom InteractionsParser to
.
.
.
commit
|
commitdiff
|
tree
2008-05-13
rieg
e
r
added check_i
n
terations r
o
utine to Interact
i
onsParser
.
c
pp
commit
|
commitdiff
|
tree
2008-05-13
rieger
n
o
change
s
commit
|
commitdiff
|
tree
2008-05-09
r
ie
g
er
added f
i
les of experimental
sym
m
etry implementation
commit
|
commitdiff
|
tree
2008-05-09
r
ieger
added some tryout to im
p
lement symmetry
commit
|
commitdiff
|
tree
2008-05-07
rie
g
e
r
fixed so
m
e
syntax
commit
|
commitdiff
|
tree
2008-05-07
rieger
edited outp
u
t
ro
u
tin
e
for directi
o
n
s
commit
|
commitdiff
|
tree
2008-05-07
rie
g
er
c
h
anged interactions
i
n
i
, t
o
check for proper treatment
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
ri
e
ger
added
som
e
variable
output for debugging
commit
|
commitdiff
|
tree
2008-05-07
ri
e
g
er
put inc
r
emen
t
ing and res
e
tting of r
e
size_facto
r
and
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
r
ieger
ad
d
ed
s
trdup
duplic
a
tio
n
of k
-
>pIte
m
,
using this as
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
riege
r
several
a
ttempt
s
to
get pointers an
d
dereferencing
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
r
i
ege
r
no compilat
i
o
n
erro
r
s f
o
r this version
commit
|
commitdiff
|
tree
2008-05-06
r
ieger
n
e
x
t try u
s
ing
i
stringstr
e
am
object
commit
|
commitdiff
|
tree
2008-05-06
ri
e
ger
ev
e
ral attempts t
o
get typ matching right with all
.
.
.
commit
|
commitdiff
|
tree
2008-05-05
rie
g
er
deleted ""
in interacti
o
ns name
commit
|
commitdiff
|
tree
2008-04-30
r
i
eger
ad
d
ed co
n
t
r
ol output of
variable tot
a
l_i
n
teractions
.
.
.
commit
|
commitdiff
|
tree
2008-04-30
r
ie
g
er
changed
s
ymme
t
rie encod
i
ng in str
u
cture
.
ini
commit
|
commitdiff
|
tree
2008-04-30
rie
g
er
edite
d
read_ini_inter
a
ctions, added
some control output
commit
|
commitdiff
|
tree
2008-04-29
rieger
s
o
me
t
es
t
s for c
o
r
rect name ass
i
gnment - not successful
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
ri
e
ger
reading routine for intera
c
tions
.
ini
commit
|
commitdiff
|
tree
2008-04-29
rieger
added enums for int
e
ractio
n
s parameters
to interactions
.
.
.
commit
|
commitdiff
|
tree
2008-04-24
rieger
added interacti
o
ns
.
ini file to
be
tracked as well
commit
|
commitdiff
|
tree
2008-04-24
r
i
eger
t
ry
t
o impl
e
ment pr
o
p
e
r data structure for interac
t
ions
.
.
.
commit
|
commitdiff
|
tree
2008-04-21
riege
r
add
e
d e
x
planat
i
o
ns in
.
ini fil
e
commit
|
commitdiff
|
tree
2008-04-18
rieger
added i
n
c
l
u
des f
o
r proper comp
i
ling under linux
commit
|
commitdiff
|
tree