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implementation of getEnergy()
2008-05-27
rieger
implementa
t
ion of getEn
e
r
g
y(
)
commit
|
commitdiff
|
tree
2008-05-27
r
ieger
deleted Symme
t
ryParser
.
P
a
rs
i
ng
i
s done in La
t
ticeParser
.
.
.
commit
|
commitdiff
|
tree
2008-05-26
M
ichael Rieger
a
d
ded Dir
e
ction
.
h
commit
|
commitdiff
|
tree
2008-05-26
Mic
h
ael Rie
g
er
added
S
y
mm
e
t
ry
O
perat
i
o
n
.
h
commit
|
commitdiff
|
tree
2008-05-26
Michael
Rieger
fixed
all error
s
with daniel
commit
|
commitdiff
|
tree
2008-05-26
M
i
chae
l
Rieger
M
e
rge
c
ommit
'origin/de
v
_work' in
t
o dev
_
home
commit
|
commitdiff
|
tree
2008-05-23
rieger
commen
t
e
d
i
ting in stru
c
ture
.
h
commit
|
commitdiff
|
tree
2008-05-23
ri
e
ger
added v
e
ct
o
r
f
or
o
n
-site-energie
s
t
o structure
.
h
commit
|
commitdiff
|
tree
2008-05-23
rieger
adde
d
Ener
g
etics
s
ec
t
ion to strut
u
re
.
in
i
file
commit
|
commitdiff
|
tree
2008-05-23
rieger
outlined getE
n
e
r
gy(
)
impleme
n
tation as comment
commit
|
commitdiff
|
tree
2008-05-23
rie
g
e
r
implementa
t
ion of get
E
n
e
rgy(
)
commit
|
commitdiff
|
tree
2008-05-23
ri
e
ger
added S
t
r
u
ct
u
re
.
cpp
commit
|
commitdiff
|
tree
2008-05-23
r
i
e
ger
a
d
ded declaration
o
f function getEnergy()
commit
|
commitdiff
|
tree
2008-05-23
rieger
removed get
E
n
e
rgy()
func
t
ion
.
.
.
i
t's
a
featur
e
of structure
.
.
.
commit
|
commitdiff
|
tree
2008-05-22
rieger
c
o
mp
i
ling a
t
te
m
p
t
commit
|
commitdiff
|
tree
2008-05-22
ri
e
ger
added usage examp
l
e for n
e
w clas
s
Structures
.
h
commit
|
commitdiff
|
tree
2008-05-22
rieger
added contr
u
ct
o
r for
str
u
c
t
ure object
commit
|
commitdiff
|
tree
2008-05-22
riege
r
added Structure
.
h file
for S
t
ructure data structure
commit
|
commitdiff
|
tree
2008-05-21
Micha
e
l Ri
e
ger
de
l
e
ted comment line
:
)
commit
|
commitdiff
|
tree
2008-05-21
Michael Rieger
Merge commit 'origin/dev_wor
k
'
i
n
to de
v
_home
commit
|
commitdiff
|
tree
2008-05-21
M
ichael Rieger
adde
d
comment line
i
n
L
attic
e
Par
s
e
r
.
cpp
commit
|
commitdiff
|
tree
2008-05-21
rieger
implemented
a
fr
i
st try to
i
ncl
u
de symmetry in
t
o in
t
er
a
c
tio
n
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
added sy
m
m
e
try pars
i
ng s
e
ction
t
o
La
t
ticePars
e
r
.
cpp
commit
|
commitdiff
|
tree
2008-05-21
rieger
added "SymmetryOpera
t
ions sym
m
etry" to
L
attic
e
.
h, lat
t
ic
e
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
deleted Sy
m
met
r
yParser
i
n
c
luding in cl
u
ster_ex
p
ans
i
o
n
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
ch
a
nged symmetry section name to [S
y
mmetry]
.
.
.
e
x
tending
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
tried Symm
e
try
.
h i
m
plementatio
n
s
imi
l
a
r to
I
n
terac
t
ions
.
h
commit
|
commitdiff
|
tree
2008-05-21
r
ieger
c
hanged in
t
eraction vector normal
i
zation
to
c
el
l
siz
e
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rie
g
er
c
hang
e
d value
c
hecking for interaction par
a
m
e
ters
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
changed usag
e
of SizeX
,
SizeY as
unit cell descriptors
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieg
e
r
Mer
g
e commit 'origin/dev_wor
k
_dan
i
' into d
e
v_wor
k
commit
|
commitdiff
|
tree
2008-05-21
rieger
start of
a
dding
symmetry parsing t
o
L
atticePars
e
r
.
cpp
commit
|
commitdiff
|
tree
2008-05-16
rieger
s
w
itched execu
t
able flag in cluste
r
_expansion
.
cpp
commit
|
commitdiff
|
tree
2008-05-16
rieger
implemen
t
a
t
ion o
f
f
u
nctio
n
checkInteractions
commit
|
commitdiff
|
tree
2008-05-14
ri
e
ger
moved checkInteractio
n
s from InteractionsParse
r
to
.
.
.
commit
|
commitdiff
|
tree
2008-05-14
Mic
h
ae
l
Rieger
deleted
a
dditi
o
nal
t
abs
commit
|
commitdiff
|
tree
2008-05-13
rieger
added check_interations routine to Inte
r
a
c
tionsP
a
r
s
er
.
cpp
commit
|
commitdiff
|
tree
2008-05-13
riege
r
no changes
commit
|
commitdiff
|
tree
2008-05-09
rieger
added
files o
f
experimental symmet
r
y impl
e
m
en
t
ation
commit
|
commitdiff
|
tree
2008-05-09
r
ieger
a
dde
d
so
m
e tryout to implement
sym
m
etry
commit
|
commitdiff
|
tree
2008-05-07
rieger
fixed some s
y
ntax
commit
|
commitdiff
|
tree
2008-05-07
rieger
edite
d
ou
t
put routine for
directions
commit
|
commitdiff
|
tree
2008-05-07
rieger
changed interactions ini, t
o
check for proper
t
reatment
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
r
i
eger
adde
d
some variabl
e
output for debugging
commit
|
commitdiff
|
tree
2008-05-07
rieger
put incremen
t
ing and resettin
g
of resize_factor
and
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
rieger
added strdup
duplication of k->pIt
e
m, using
this as
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
riege
r
several
attempts to
g
e
t
pointers and dereferenc
i
ng
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
rieger
no compi
l
ati
o
n
e
r
r
o
r
s
f
or this version
commit
|
commitdiff
|
tree
2008-05-06
rieger
next t
r
y usin
g
is
t
r
i
ngstream o
b
j
e
c
t
commit
|
commitdiff
|
tree
2008-05-06
ri
e
ger
ev
e
ral attempts to get
t
y
p mat
c
hing ri
g
ht with al
l
.
.
.
commit
|
commitdiff
|
tree
2008-05-05
ri
e
ger
d
e
l
e
ted
"
" in inte
r
actions na
m
e
commit
|
commitdiff
|
tree
2008-04-30
rieger
a
d
d
e
d
control o
u
tput of variable total_interactions
.
.
.
commit
|
commitdiff
|
tree
2008-04-30
rie
g
e
r
c
h
a
nged symmet
r
ie encoding
in s
t
ructur
e
.
ini
commit
|
commitdiff
|
tree
2008-04-30
r
i
eger
edited
read
_
ini_i
n
t
eractions, added
some control o
u
tput
commit
|
commitdiff
|
tree
2008-04-30
Michael Rieger
ad
d
ed contruc
t
or lo
o
p fo
r
directions array as an attempt
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
r
ieger
some t
e
sts for correct name a
s
signment - not successful
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
r
i
e
ger
reading rou
t
ine for int
e
rac
t
io
n
s
.
i
ni
commit
|
commitdiff
|
tree
2008-04-29
ri
e
ger
added enums for
i
n
t
e
ractions
p
ara
m
et
e
rs
t
o interac
t
ion
s
.
.
.
commit
|
commitdiff
|
tree
2008-04-24
ri
e
ger
ad
d
e
d
in
t
eractions
.
ini file to
b
e
t
racked as w
e
l
l
commit
|
commitdiff
|
tree
2008-04-24
riege
r
try
t
o
i
m
plement pr
o
p
er
d
ata
s
t
r
ucture
for interactions
.
.
.
commit
|
commitdiff
|
tree
2008-04-21
rieger
ad
d
ed
e
xplanations in
.
ini
f
ile
commit
|
commitdiff
|
tree
2008-04-18
rieger
add
e
d inclu
d
es for pro
p
er
c
ompiling u
n
de
r
li
n
ux
commit
|
commitdiff
|
tree
2008-04-17
Mi
c
hael Rieger
changed CObr_pos index to index shifted form for g
e
tting
.
.
.
commit
|
commitdiff
|
tree
2008-04-17
Michael Rie
g
er
edited filling routi
n
e to
c
heck for caus
e
of error
commit
|
commitdiff
|
tree
2008-04-16
M
ichael Rieger
fina
l
f
o
rmat def
i
n
ition of s
t
ru
c
ture
.
ini file
commit
|
commitdiff
|
tree
2008-04-11
M
i
chael Rieger
c
h
an
g
e
d i
n
pu
t
ini to check if getti
n
g multiple value
s
.
.
.
commit
|
commitdiff
|
tree
2008-04-11
Michael
R
i
eger
m
o
di
f
i
e
d
in
p
u
t
.
ini
commit
|
commitdiff
|
tree
2008-04-10
Mic
h
ael Rieger
added lattice initializat
i
on
commit
|
commitdiff
|
tree
2008-04-10
Mic
h
ael Rieger
a
dded comparing keys
o
f
input
f
ile t
o
stri
n
g keyword
s
.
.
.
commit
|
commitdiff
|
tree
2008-04-09
Michael Rieger
edi
t
e
d
ou
t
put rou
t
ine and dele
t
ed tmp direct
o
ry to
.
.
.
commit
|
commitdiff
|
tree
2008-04-09
M
i
chael Rieger
working in inpu
t
readin
g
r
outine
commit
|
commitdiff
|
tree
2008-04-08
Michael Rie
g
er
added oup
u
t
r
outine for
all sections in
.
ini
f
ile
commit
|
commitdiff
|
tree
2008-04-07
M
i
chael Rieg
e
r
adde
d
using Blitz++ library
commit
|
commitdiff
|
tree
2008-04-05
Michael
Rieger
added "t
o
do" to read_i
n
i subrou
t
ine
commit
|
commitdiff
|
tree
2008-04-05
M
i
chael R
i
eg
e
r
edite
d
input
.
ini fi
l
e
, giving first
[
c
ell] se
c
tion
.
.
.
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
added
S
i
m
p
l
eIni files
commit
|
commitdiff
|
tree
2008-04-05
M
ichael Rieger
add
e
d input
.
ini file
commit
|
commitdiff
|
tree
2008-04-05
Michae
l
R
ieg
e
r
added
subroutin
e
for input
file reading
commit
|
commitdiff
|
tree
2008-04-05
M
i
ch
a
el Rieger
added De
b
ug d
i
rectory to
.
g
itignore,
added
.
gitignore
commit
|
commitdiff
|
tree
2008-04-05
M
ichael Rieger
a
dded eclipse
conf
i
guration f
i
les
commit
|
commitdiff
|
tree
2008-04-05
Mic
h
ael Rieger
initial check
i
n for cluste
r
expansion pro
j
ect
f
o
r
.
.
.
commit
|
commitdiff
|
tree