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added Structure.h file for Structure data structure
2008-05-22
r
i
eger
a
dded Structure
.
h fil
e
for Structure
d
ata
struc
t
u
r
e
commit
|
commitdiff
|
tree
2008-05-21
rieger
imp
l
emented a frist try to include
symmetry into
i
nteract
i
on
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
added sy
m
met
r
y par
s
i
n
g
s
ect
i
on to Lat
t
iceParser
.
c
p
p
commit
|
commitdiff
|
tree
2008-05-21
ri
e
ger
ad
d
ed "Symme
t
ryOpe
r
ation
s
symmetry" to Lattice
.
h, latti
c
e
.
.
.
commit
|
commitdiff
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tree
2008-05-21
rieg
e
r
deleted SymmetryP
a
rser in
c
l
uding in cl
u
ster_expan
s
ion
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
ri
e
ger
changed symmetry se
c
t
i
on name to [Sy
m
m
e
try]
.
.
.
e
x
tendin
g
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rie
g
e
r
tried Symmetry
.
h
i
mplementation s
i
milar to Inte
r
a
c
t
i
ons
.
h
commit
|
commitdiff
|
tree
2008-05-21
rieger
changed interact
i
on vector
n
o
r
malization to ce
l
l
s
ize
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
c
h
anged
value checkin
g
for interaction paramete
r
s
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
changed usage of S
i
zeX
,
S
i
z
e
Y as unit cell desc
r
iptors
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
Merge
commi
t
'
origin/dev_work_d
a
n
i' into dev_work
commit
|
commitdiff
|
tree
2008-05-21
rieger
start of add
i
n
g
s
ymmetry parsing to LatticePa
r
ser
.
c
p
p
commit
|
commitdiff
|
tree
2008-05-16
ri
e
ger
s
w
itch
e
d executable
flag in
c
luster_expansion
.
cpp
commit
|
commitdiff
|
tree
2008-05-16
rie
g
er
implementation of function checkInter
a
ctions
commit
|
commitdiff
|
tree
2008-05-14
rieger
mo
v
e
d
checkInt
e
racti
o
ns from Interacti
o
n
sParser to
.
.
.
commit
|
commitdiff
|
tree
2008-05-13
rieger
added c
h
eck_interations routine to Inter
a
cti
o
n
sParser
.
cpp
commit
|
commitdiff
|
tree
2008-05-13
ri
e
g
e
r
no changes
commit
|
commitdiff
|
tree
2008-05-09
rieg
e
r
a
d
ded
f
iles of ex
p
erimental symmetry impleme
n
t
ation
commit
|
commitdiff
|
tree
2008-05-09
rieger
ad
d
ed some tr
y
out to imple
m
ent symmetry
commit
|
commitdiff
|
tree
2008-05-07
rieg
e
r
fixed
so
m
e syntax
commit
|
commitdiff
|
tree
2008-05-07
rieger
edited output routine for directions
commit
|
commitdiff
|
tree
2008-05-07
r
ieger
change
d
int
e
ractions ini, to che
c
k fo
r
pr
o
per
t
reatmen
t
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
rieger
a
d
ded some va
r
iabl
e
output for
d
ebug
g
ing
commit
|
commitdiff
|
tree
2008-05-07
rieger
put inc
r
em
e
nt
i
ng and resetting of resiz
e
_factor
a
nd
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
r
ieger
added
s
tr
d
u
p duplic
a
tion of k->pItem,
u
sing this as
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
rieger
se
v
eral att
e
mpts to get poin
t
ers and derefe
r
encin
g
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
riege
r
no compilatio
n
e
rrors fo
r
this versi
o
n
commit
|
commitdiff
|
tree
2008-05-06
rieger
next try using istring
s
tream ob
j
ect
commit
|
commitdiff
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tree
2008-05-06
rieger
everal attemp
t
s
to
g
et typ matc
h
ing right
w
ith all
.
.
.
commit
|
commitdiff
|
tree
2008-05-05
ri
e
ger
dele
t
ed ""
i
n
int
e
r
a
ctions name
commit
|
commitdiff
|
tree
2008-04-30
riege
r
added contro
l
o
u
tp
u
t of variable tota
l
_
i
n
t
e
ra
c
tions
.
.
.
commit
|
commitdiff
|
tree
2008-04-30
r
i
e
g
er
changed symm
e
t
r
ie
encoding
in structure
.
ini
commit
|
commitdiff
|
tree
2008-04-30
rieger
e
d
ited r
e
a
d
_
i
ni_interactions, adde
d
some cont
r
ol output
commit
|
commitdiff
|
tree
2008-04-29
riege
r
some tests for correct n
a
me assi
g
n
m
e
nt - not successfu
l
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
rieger
r
e
a
d
ing
rout
i
ne for
interactions
.
ini
commit
|
commitdiff
|
tree
2008-04-29
riege
r
a
d
ded enums for interaction
s
p
a
ra
m
eters t
o
interactions
.
.
.
commit
|
commitdiff
|
tree
2008-04-24
rieger
added interactions
.
in
i
file
to be tra
c
ked as wel
l
commit
|
commitdiff
|
tree
2008-04-24
rieger
try
to imple
m
ent proper data
s
tru
c
ture fo
r
int
e
ractions
.
.
.
commit
|
commitdiff
|
tree
2008-04-21
r
ieger
added e
x
plan
a
tions in
.
ini
f
ile
commit
|
commitdiff
|
tree
2008-04-18
rie
g
er
a
d
ded inclu
d
es for pro
p
er
com
p
iling under lin
u
x
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|
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tree