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Tweaked .gitignore
2008-05-28
rieger
chang
e
d parsing agai
n
commit
|
commitdiff
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tree
2008-05-28
rieger
move
d
L
atticeParser and Inter
a
c
t
ionParser fr
o
m
m
ain
.
.
.
commit
|
commitdiff
|
tree
2008-05-27
ri
e
g
er
change
d
key name in structure ini file
commit
|
commitdiff
|
tree
2008-05-27
rieger
added
b
et
t
er e
r
ror handling and testing if
it
'
s
a
new
.
.
.
commit
|
commitdiff
|
tree
2008-05-27
rieger
added
r
ea
d
ing dft ener
g
y
commit
|
commitdiff
|
tree
2008-05-27
rieger
added us
a
ge of Stru
c
t
u
reParser to cluster
_
expansion
.
cpp
commit
|
commitdiff
|
tree
2008-05-27
rieger
added Struct
u
rePar
s
e
r
to get St
r
ucture en
e
rgetics from
.
.
.
commit
|
commitdiff
|
tree
2008-05-27
rieger
implementation o
f
getEnergy
(
)
commit
|
commitdiff
|
tree
2008-05-27
r
ie
g
er
deleted
Symm
e
tryParser
.
Parsing is
d
one in
LatticeParser
.
.
.
commit
|
commitdiff
|
tree
2008-05-26
M
ichael Ri
e
ger
added
Direc
t
ion
.
h
commit
|
commitdiff
|
tree
2008-05-26
Mi
c
h
ae
l
Rieger
ad
d
ed Sy
m
m
e
tryOperat
i
o
n
.
h
commit
|
commitdiff
|
tree
2008-05-26
Michael R
i
e
g
er
fix
e
d all errors with dan
i
el
commit
|
commitdiff
|
tree
2008-05-26
Michael Rieger
Merge commi
t
'or
i
gin
/
de
v
_work'
i
nto dev_home
commit
|
commitdiff
|
tree
2008-05-23
rieger
comm
e
nt editing in struc
t
ure
.
h
commit
|
commitdiff
|
tree
2008-05-23
r
ieger
ad
d
ed v
e
cto
r
for on
-
s
i
te-energies
t
o
s
t
r
ucture
.
h
commit
|
commitdiff
|
tree
2008-05-23
r
ieger
added En
e
rgetics
s
ection to
s
truture
.
ini
fi
l
e
commit
|
commitdiff
|
tree
2008-05-23
ri
e
ger
outlined
getE
n
ergy() impl
e
mentatio
n
as commen
t
commit
|
commitdiff
|
tree
2008-05-23
rieger
implementation of getEn
e
rgy
(
)
commit
|
commitdiff
|
tree
2008-05-23
riege
r
added Struct
u
re
.
cpp
commit
|
commitdiff
|
tree
2008-05-23
rieger
ad
d
ed declar
a
t
i
o
n
of
f
unction
g
e
tE
n
ergy()
commit
|
commitdiff
|
tree
2008-05-23
rieger
remov
e
d
g
e
tEnergy() f
u
n
ction
.
.
.
i
t's a
feat
u
re of structure
.
.
.
commit
|
commitdiff
|
tree
2008-05-22
rieger
compiling attemp
t
commit
|
commitdiff
|
tree
2008-05-22
rieger
added
u
s
ag
e
example for new cl
a
ss
Struct
u
res
.
h
commit
|
commitdiff
|
tree
2008-05-22
rieger
added contruc
t
or f
o
r structure obje
c
t
commit
|
commitdiff
|
tree
2008-05-22
rieger
added Structure
.
h
file
f
or Structure data structure
commit
|
commitdiff
|
tree
2008-05-21
M
i
chael
Rieger
de
l
eted co
m
men
t
line :)
commit
|
commitdiff
|
tree
2008-05-21
Mich
a
el Rie
g
er
M
e
rg
e
commit 'origi
n
/dev_work' into dev_home
commit
|
commitdiff
|
tree
2008-05-21
Mi
c
hael Rieger
adde
d
c
omment line in LatticeParse
r
.
cpp
commit
|
commitdiff
|
tree
2008-05-21
rieger
implemented a
f
rist try to incl
u
de symmetry int
o
in
t
eractio
n
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
added symmetry par
s
ing se
c
tion to LatticeParser
.
cpp
commit
|
commitdiff
|
tree
2008-05-21
r
ieger
added
"
SymmetryO
p
erations symmetry" to Lattice
.
h
,
lattice
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
r
i
eger
deleted Symm
e
tryPa
r
ser including in
cluster_
e
x
p
an
s
i
o
n
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
r
ieger
c
h
anged symmetry section name to [Symmetr
y
]
.
.
.
ext
e
nding
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
t
r
ied Symmetry
.
h implementati
o
n
similar t
o
I
n
teracti
o
ns
.
h
commit
|
commitdiff
|
tree
2008-05-21
rieg
e
r
changed in
t
eraction
v
ec
t
or normalizat
i
on to
c
ell size
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
cha
n
ged valu
e
c
h
ecking f
o
r
interaction parameters
.
commit
|
commitdiff
|
tree
2008-05-21
r
i
ege
r
chang
e
d us
a
ge of SizeX, SizeY as unit cell desc
r
iptors
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
r
iege
r
Merg
e
commit
'
origin
/
d
e
v_work_dani' int
o
d
ev_work
commit
|
commitdiff
|
tree
2008-05-21
rieger
start o
f
a
d
ding sym
m
etry parsing t
o
LatticeParse
r
.
cpp
commit
|
commitdiff
|
tree
2008-05-16
rieger
switched exe
c
utable flag in cluster_expansion
.
cp
p
commit
|
commitdiff
|
tree
2008-05-16
r
i
ege
r
i
mplementation of function chec
k
Inte
r
actio
n
s
commit
|
commitdiff
|
tree
2008-05-14
rieg
e
r
mo
v
ed checkIn
t
eracti
o
ns
f
rom Interacti
o
ns
P
arser to
.
.
.
commit
|
commitdiff
|
tree
2008-05-14
Michael Rieger
deleted additional
t
abs
commit
|
commitdiff
|
tree
2008-05-13
ri
e
g
e
r
added check_interations ro
u
tine
t
o Interact
i
o
n
sParser
.
c
p
p
commit
|
commitdiff
|
tree
2008-05-13
rieger
no chan
g
e
s
commit
|
commitdiff
|
tree
2008-05-09
r
ieger
ad
d
ed files o
f
e
xperimental symmetr
y
i
m
ple
m
entati
o
n
commit
|
commitdiff
|
tree
2008-05-09
rieger
added som
e
tryout
to im
p
lem
e
nt sy
m
metr
y
commit
|
commitdiff
|
tree
2008-05-07
r
ieger
fixed some syntax
commit
|
commitdiff
|
tree
2008-05-07
r
ieger
edi
t
ed output rout
i
ne for directions
commit
|
commitdiff
|
tree
2008-05-07
r
i
e
ger
change
d
int
e
ract
i
ons ini, to
c
heck for pr
o
per trea
t
ment
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
rieger
added some variable outpu
t
for
d
eb
u
gg
i
ng
commit
|
commitdiff
|
tree
2008-05-07
rieger
put incrementi
n
g and res
e
tting of
resize_fa
c
tor an
d
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
rieger
added strdup dupli
c
ation
of k->
p
I
t
e
m, using this as
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
riege
r
several at
t
empt
s
to g
e
t po
i
nters an
d
dereferencing
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
riege
r
no com
p
ilation errors for this version
commit
|
commitdiff
|
tree
2008-05-06
r
ieger
nex
t
try
u
sing istring
s
tream
object
commit
|
commitdiff
|
tree
2008-05-06
r
ieger
ever
a
l atte
m
p
ts to get
typ matching
r
i
g
ht with all
.
.
.
commit
|
commitdiff
|
tree
2008-05-05
rieg
e
r
del
e
ted
"
"
in interactions name
commit
|
commitdiff
|
tree
2008-04-30
rieger
added c
o
ntrol output of variable tot
a
l_in
t
eracti
o
ns
.
.
.
commit
|
commitdiff
|
tree
2008-04-30
r
i
eger
changed symmetrie encoding in structure
.
ini
commit
|
commitdiff
|
tree
2008-04-30
r
ieger
edited
read_i
n
i_interact
i
ons, added some cont
r
ol output
commit
|
commitdiff
|
tree
2008-04-30
Michael Ri
e
ger
add
e
d contru
c
to
r
loop fo
r
d
i
rections array as
an attemp
t
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
rieg
e
r
some test
s
fo
r
correct n
a
me assignment - not s
u
cce
s
sful
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
rieger
reading routine for in
t
eractions
.
ini
commit
|
commitdiff
|
tree
2008-04-29
rieger
a
d
ded enums for interactions param
e
ters
t
o interacti
o
ns
.
.
.
commit
|
commitdiff
|
tree
2008-04-24
r
ieger
a
d
ded interact
i
ons
.
i
ni file
t
o
be track
e
d as well
commit
|
commitdiff
|
tree
2008-04-24
riege
r
try to implement pr
o
p
er data st
r
ucture for interact
i
ons
.
.
.
commit
|
commitdiff
|
tree
2008-04-21
riege
r
added expla
n
ations in
.
ini file
commit
|
commitdiff
|
tree
2008-04-18
rieger
added inclu
d
es f
o
r p
r
oper compiling under lin
u
x
commit
|
commitdiff
|
tree
2008-04-17
Michael
R
ieger
c
hange
d
CO
b
r_pos in
d
ex t
o
index shifte
d
form f
o
r get
t
i
n
g
.
.
.
commit
|
commitdiff
|
tree
2008-04-17
Michael Ri
e
ger
edited filling routine to check for cause of error
commit
|
commitdiff
|
tree
2008-04-16
Michael Riege
r
fin
a
l
f
or
m
at definition of struct
u
re
.
ini f
i
le
commit
|
commitdiff
|
tree
2008-04-11
Michael R
i
eger
cha
n
g
ed input ini to check if getting multi
p
l
e
v
alues
.
.
.
commit
|
commitdiff
|
tree
2008-04-11
Mic
h
ael Rieger
m
o
d
ifie
d
i
n
put
.
ini
commit
|
commitdiff
|
tree
2008-04-10
Michael Rieger
added lattice i
n
i
ti
a
li
z
ation
commit
|
commitdiff
|
tree
2008-04-10
Michael
Rieger
a
d
d
ed compar
i
ng keys of input file
t
o
string keyw
o
rds
.
.
.
commit
|
commitdiff
|
tree
2008-04-09
Micha
e
l Rieg
e
r
ed
i
ted
output routine and
deleted
tmp dir
e
ctory to
.
.
.
commit
|
commitdiff
|
tree
2008-04-09
Michael Rieger
working in
i
nput read
i
n
g r
o
utine
commit
|
commitdiff
|
tree
2008-04-08
Mic
h
a
el Rie
g
er
added ou
p
ut routine fo
r
a
l
l
s
ections in
.
ini
f
i
le
commit
|
commitdiff
|
tree
2008-04-07
Michael Rie
g
e
r
add
e
d using Blitz++
l
ibrary
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
adde
d
"to do" t
o
r
e
a
d_ini subrout
i
ne
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
edite
d
input
.
ini file, givi
n
g
first [cell]
section
.
.
.
commit
|
commitdiff
|
tree
2008-04-05
Mi
c
hael Riege
r
added S
i
mpleIni
f
iles
commit
|
commitdiff
|
tree
2008-04-05
Mic
h
ael Rieg
e
r
added input
.
ini
fi
l
e
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
added s
u
brou
t
in
e
for
input
f
ile reading
commit
|
commitdiff
|
tree
2008-04-05
M
i
c
h
a
el Rieg
e
r
added
D
ebug dir
e
ctory to
.
gitig
n
ore, add
e
d
.
gitignore
commit
|
commitdiff
|
tree
2008-04-05
M
ich
a
e
l
Rie
g
er
a
dded ecl
i
pse config
u
ration
f
iles
commit
|
commitdiff
|
tree
2008-04-05
M
i
c
h
ael Rieger
initial check in f
o
r cluster expansion project
f
or
.
.
.
commit
|
commitdiff
|
tree