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changed key name in structure ini file
2008-05-27
ri
e
ger
cha
n
ged key n
a
me
i
n struct
u
re ini file
commit
|
commitdiff
|
tree
2008-05-27
rie
g
er
added
bette
r
e
rror ha
n
dli
n
g
and testing if it'
s
a new
.
.
.
commit
|
commitdiff
|
tree
2008-05-27
rieger
a
d
ded reading
d
ft e
n
ergy
commit
|
commitdiff
|
tree
2008-05-27
riege
r
added usage of
Stru
c
t
ureParser to
c
luster_expansion
.
cpp
commit
|
commitdiff
|
tree
2008-05-27
rieg
e
r
add
e
d Stru
c
turePa
r
s
e
r to
get Structure energetics from
.
.
.
commit
|
commitdiff
|
tree
2008-05-27
rieger
implementati
o
n
o
f getEnergy()
commit
|
commitdiff
|
tree
2008-05-27
ri
e
ger
deleted Symm
e
t
ryParser
.
Pa
r
sing
i
s done
i
n L
a
t
tic
e
Parser
.
.
.
commit
|
commitdiff
|
tree
2008-05-26
M
i
chael
Rieger
a
d
d
e
d Direc
t
ion
.
h
commit
|
commitdiff
|
tree
2008-05-26
Michael Ri
e
ger
a
dded SymmetryOperation
.
h
commit
|
commitdiff
|
tree
2008-05-26
Michael Rieger
fixed all
errors with daniel
commit
|
commitdiff
|
tree
2008-05-26
M
i
chael
R
ieger
M
erg
e
commit 'origin/dev_w
o
rk' into
dev_home
commit
|
commitdiff
|
tree
2008-05-23
r
i
eger
com
m
ent edit
i
ng in structure
.
h
commit
|
commitdiff
|
tree
2008-05-23
rieger
added vector for on-si
t
e-en
e
r
g
ies
t
o
str
u
cture
.
h
commit
|
commitdiff
|
tree
2008-05-23
rieger
a
dded E
n
ergetics section
t
o s
t
ruture
.
ini
file
commit
|
commitdiff
|
tree
2008-05-23
rieger
outline
d
getEnergy() implementation
a
s
comment
commit
|
commitdiff
|
tree
2008-05-23
rieger
implementation o
f
ge
t
Energy()
commit
|
commitdiff
|
tree
2008-05-23
rieger
added Structure
.
cpp
commit
|
commitdiff
|
tree
2008-05-23
rieger
added declar
a
tion of f
u
nction
get
E
nergy()
commit
|
commitdiff
|
tree
2008-05-23
rieger
removed
g
etEnergy() function
.
.
.
it's a feature of
s
t
r
u
cture
.
.
.
commit
|
commitdiff
|
tree
2008-05-22
r
i
eger
compil
i
ng att
e
mpt
commit
|
commitdiff
|
tree
2008-05-22
r
i
eger
added usa
g
e e
x
a
m
ple for new class
S
truct
u
res
.
h
commit
|
commitdiff
|
tree
2008-05-22
rieger
added contructor for structure ob
j
ect
commit
|
commitdiff
|
tree
2008-05-22
rieger
added
S
t
ructure
.
h file fo
r
Stru
c
ture data str
u
c
t
ure
commit
|
commitdiff
|
tree
2008-05-21
Michae
l
Riege
r
deleted c
o
mm
e
n
t
line :)
commit
|
commitdiff
|
tree
2008-05-21
Michael
R
i
eger
Merg
e
commit 'origin/dev_w
o
r
k
'
into de
v
_home
commit
|
commitdiff
|
tree
2008-05-21
Michael
R
ieger
a
dded comment line in Lat
t
iceParser
.
cp
p
commit
|
commitdiff
|
tree
2008-05-21
rie
g
er
implemented a frist try to
i
ncl
u
de symmet
r
y in
t
o interaction
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
added symmetr
y
p
a
rs
i
ng
section to LatticeParse
r
.
cpp
commit
|
commitdiff
|
tree
2008-05-21
rieger
added "Symme
t
ryOperations symmetry"
t
o
Lattice
.
h, la
t
tice
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
deleted S
y
mm
e
t
ryParser incl
u
ding in cl
u
s
t
er_expansion
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
cha
n
ged symmet
r
y section na
m
e
to [Symmetry]
.
.
.
extending
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
riege
r
trie
d
Sy
m
m
etry
.
h implementation simila
r
to Inter
a
c
tions
.
h
commit
|
commitdiff
|
tree
2008-05-21
rieger
changed interactio
n
vector n
o
rmalization
t
o cell
s
i
ze
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieg
e
r
chang
e
d value c
h
eck
i
ng for interaction par
a
meters
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
changed usag
e
of S
i
zeX
,
Size
Y
as
u
nit cel
l
des
c
r
iptors
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
Merge commit 'origin/dev_w
o
rk
_
dan
i
'
i
nto dev_work
commit
|
commitdiff
|
tree
2008-05-21
ri
e
g
e
r
start o
f
addin
g
symmetry parsin
g
t
o La
t
ticeParser
.
cpp
commit
|
commitdiff
|
tree
2008-05-16
r
i
e
g
er
switched ex
e
cutable
f
lag in cl
u
ster_expansion
.
cp
p
commit
|
commitdiff
|
tree
2008-05-16
rie
g
er
imple
m
e
n
tat
i
on o
f
function ch
e
ckInteractions
commit
|
commitdiff
|
tree
2008-05-14
r
i
eg
e
r
move
d
ch
e
ckInteracti
o
ns from I
n
ter
a
ct
i
o
n
sPar
s
er to
.
.
.
commit
|
commitdiff
|
tree
2008-05-14
Michael R
i
eg
e
r
d
e
l
eted addit
i
ona
l
tabs
commit
|
commitdiff
|
tree
2008-05-13
rieger
ad
d
ed
ch
e
ck_interations routine to InteractionsParser
.
cpp
commit
|
commitdiff
|
tree
2008-05-13
rieger
no changes
commit
|
commitdiff
|
tree
2008-05-09
rieg
e
r
ad
d
e
d files of
e
xp
e
rimen
t
al s
y
mmetry imp
l
eme
n
tation
commit
|
commitdiff
|
tree
2008-05-09
rieger
added
s
o
m
e
tryout to implement
s
ymmet
r
y
commit
|
commitdiff
|
tree
2008-05-07
rieger
fixed
some syntax
commit
|
commitdiff
|
tree
2008-05-07
rieger
edited
output routi
n
e for directions
commit
|
commitdiff
|
tree
2008-05-07
rieger
c
h
ang
e
d in
t
eractions ini, to check fo
r
pro
p
er tre
a
tm
e
n
t
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
rieger
added some varia
b
le
o
u
t
put for debug
g
ing
commit
|
commitdiff
|
tree
2008-05-07
rieger
put increme
n
ting and reset
t
i
n
g of
r
esi
z
e_factor and
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
rieger
added strdup
d
uplic
a
tion of k->
p
Item,
using thi
s
as
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
rieger
several attempts to g
e
t
pointers and de
r
efe
r
encing
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
r
i
eger
n
o
compila
t
ion errors for t
h
i
s version
commit
|
commitdiff
|
tree
2008-05-06
rieg
e
r
n
e
xt
try using istrin
g
stream object
commit
|
commitdiff
|
tree
2008-05-06
r
iege
r
everal attempt
s
to g
e
t
typ mat
c
h
i
ng r
i
ght with all
.
.
.
commit
|
commitdiff
|
tree
2008-05-05
rieger
deleted
"" in interactions nam
e
commit
|
commitdiff
|
tree
2008-04-30
rieger
added
c
ontrol output of variable total
_
interactions
.
.
.
commit
|
commitdiff
|
tree
2008-04-30
r
iege
r
changed symmetrie encoding in structu
r
e
.
ini
commit
|
commitdiff
|
tree
2008-04-30
riege
r
e
d
i
ted
rea
d
_ini_interacti
o
ns
,
added some control
outp
u
t
commit
|
commitdiff
|
tree
2008-04-30
Michael Ri
e
ger
added c
o
ntructor loop f
o
r directions array a
s
a
n
attempt
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
rieger
some test
s
for correct name assignment -
n
ot successf
u
l
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
rie
g
er
rea
d
ing r
o
utine for
i
nte
r
ac
t
i
ons
.
ini
commit
|
commitdiff
|
tree
2008-04-29
rieger
added enums fo
r
i
nte
r
actions param
e
ters
t
o inte
r
actio
n
s
.
.
.
commit
|
commitdiff
|
tree
2008-04-24
rie
g
er
added
i
n
t
erac
t
ions
.
i
n
i file to be tr
a
cke
d
as wel
l
commit
|
commitdiff
|
tree
2008-04-24
riege
r
try to implem
e
nt proper dat
a
structu
r
e for i
n
teractions
.
.
.
commit
|
commitdiff
|
tree
2008-04-21
rieger
added explanations in
.
ini fi
l
e
commit
|
commitdiff
|
tree
2008-04-18
ri
e
g
e
r
added includes for proper compiling under
l
inux
commit
|
commitdiff
|
tree
2008-04-17
Mi
c
hael Ri
e
g
er
changed CObr_
p
os i
n
d
ex to
i
n
d
ex shifted form
for
g
e
t
ting
.
.
.
commit
|
commitdiff
|
tree
2008-04-17
Michael Rieger
edited
fillin
g
routine t
o
check for cause of error
commit
|
commitdiff
|
tree
2008-04-16
Michael Rie
g
e
r
f
i
nal f
o
rma
t
definition
o
f
structure
.
i
n
i file
commit
|
commitdiff
|
tree
2008-04-11
Micha
e
l Rie
g
er
c
h
anged input ini to check if getting mu
l
tiple value
s
.
.
.
commit
|
commitdiff
|
tree
2008-04-11
Michael R
i
e
ger
mo
d
i
f
ied input
.
i
n
i
commit
|
commitdiff
|
tree
2008-04-10
M
i
c
h
a
el
R
i
e
ger
ad
d
ed lattice initializ
a
tion
commit
|
commitdiff
|
tree
2008-04-10
Mi
c
hael Rieger
a
d
ded comparing keys of i
n
put file to string
k
eyw
o
rds
.
.
.
commit
|
commitdiff
|
tree
2008-04-09
Mi
c
hael
Rieg
e
r
edi
t
ed outp
u
t
r
outine and deleted
tmp directory to
.
.
.
commit
|
commitdiff
|
tree
2008-04-09
Mi
c
h
a
e
l Ri
e
g
e
r
working
in
inp
u
t reading
r
o
u
tine
commit
|
commitdiff
|
tree
2008-04-08
Michael
R
iege
r
added ouput ro
u
tine for
all sections i
n
.
ini f
i
le
commit
|
commitdiff
|
tree
2008-04-07
Michael Riege
r
add
e
d u
s
ing Blitz++
l
ibrary
commit
|
commitdiff
|
tree
2008-04-05
Michael
Rie
g
er
a
d
ded "
t
o do" to read_ini s
u
broutine
commit
|
commitdiff
|
tree
2008-04-05
Michael Riege
r
edited
i
nput
.
i
ni
f
ile, gi
v
i
n
g
first [cell] sect
i
on
.
.
.
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
added SimpleIni
f
iles
commit
|
commitdiff
|
tree
2008-04-05
Mic
h
ael Rieger
a
dded input
.
ini
file
commit
|
commitdiff
|
tree
2008-04-05
M
i
chael Rieg
e
r
add
e
d
sub
r
o
utine
for input file reading
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
a
d
ded De
b
ug di
r
ectory t
o
.
g
i
t
i
gnore, added
.
g
iti
g
nore
commit
|
commitdiff
|
tree
2008-04-05
Micha
e
l Rieg
e
r
a
dded
eclips
e
c
o
nfiguration files
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
initial check
i
n for cluster expansion project f
o
r
.
.
.
commit
|
commitdiff
|
tree