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added Energetics section to struture.ini file
2008-05-23
r
i
eger
added En
e
rgetics sec
t
i
o
n to s
t
rut
u
re
.
ini
f
ile
commit
|
commitdiff
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tree
2008-05-23
rieger
outlined getE
n
ergy(
)
implementation as com
m
ent
commit
|
commitdiff
|
tree
2008-05-23
rieger
implementation
of getEnergy()
commit
|
commitdiff
|
tree
2008-05-23
r
i
eger
added Structure
.
cpp
commit
|
commitdiff
|
tree
2008-05-23
ri
e
g
er
added de
c
laration of functio
n
get
E
nergy()
commit
|
commitdiff
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tree
2008-05-23
r
i
e
ger
removed getEnergy() function
.
.
.
it's
a
fea
t
ure of structure
.
.
.
commit
|
commitdiff
|
tree
2008-05-22
rieg
e
r
compiling attempt
commit
|
commitdiff
|
tree
2008-05-22
r
i
eger
added u
s
age exam
p
le for new c
l
ass Structu
r
es
.
h
commit
|
commitdiff
|
tree
2008-05-22
riege
r
a
dde
d
contruct
o
r for s
t
r
ucture obj
e
ct
commit
|
commitdiff
|
tree
2008-05-22
rieger
adde
d
St
r
uct
u
re
.
h fil
e
f
or
St
r
ucture d
a
ta structu
r
e
commit
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commitdiff
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tree
2008-05-21
r
i
eger
implemented a frist try to include symmetry into interaction
.
.
.
commit
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commitdiff
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tree
2008-05-21
rieger
add
e
d symmet
r
y p
a
rsing section
t
o LatticeParser
.
c
pp
commit
|
commitdiff
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tree
2008-05-21
r
ieger
added
"Sym
m
etryOperations symmetry" to L
a
ttice
.
h, lat
t
i
c
e
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
deleted SymmetryParser
i
ncl
u
ding in clus
t
e
r
_expansion
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
riege
r
c
h
ange
d
symme
t
ry section name
t
o
[Sy
m
metry
]
.
.
.
extending
.
.
.
commit
|
commitdiff
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tree
2008-05-21
rieger
tried
Symme
t
ry
.
h
implementation
s
imil
a
r
t
o Inter
a
ction
s
.
h
commit
|
commitdiff
|
tree
2008-05-21
ri
e
ger
ch
a
nged inte
r
acti
o
n vecto
r
n
o
rmaliza
t
i
o
n to cel
l
size
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
ri
e
ger
ch
a
ng
e
d valu
e
check
i
ng for
i
n
teract
i
o
n
p
a
rameters
.
commit
|
commitdiff
|
tree
2008-05-21
rieg
e
r
chan
g
ed
u
s
age of SizeX,
S
izeY as unit
c
ell descriptors
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
r
i
eger
M
e
r
ge commit 'or
i
g
in/dev_wor
k
_dani'
i
nto dev_work
commit
|
commitdiff
|
tree
2008-05-21
rieger
start of addi
n
g symmetry parsing
to Lattic
e
Pa
r
ser
.
cpp
commit
|
commitdiff
|
tree
2008-05-16
ri
e
ger
switch
e
d
exec
u
table
f
lag in cluster_expa
n
sion
.
cpp
commit
|
commitdiff
|
tree
2008-05-16
rie
g
er
implementation of function checkIn
t
e
racti
o
ns
commit
|
commitdiff
|
tree
2008-05-14
riege
r
mo
v
e
d
checkI
n
teraction
s
f
r
om InteractionsPar
s
er to
.
.
.
commit
|
commitdiff
|
tree
2008-05-14
M
i
chael Rieger
de
l
e
t
ed ad
d
itional tabs
commit
|
commitdiff
|
tree
2008-05-13
ri
e
ger
added
check_i
n
terati
o
ns r
o
utine
t
o Inter
a
cti
o
nsParser
.
cpp
commit
|
commitdiff
|
tree
2008-05-13
rieg
e
r
no chang
e
s
commit
|
commitdiff
|
tree
2008-05-09
riege
r
added fil
e
s of experimenta
l
symmetry implementation
commit
|
commitdiff
|
tree
2008-05-09
r
ie
g
er
adde
d
some tryout
t
o implement symmetry
commit
|
commitdiff
|
tree
2008-05-07
rieger
f
ixed some syntax
commit
|
commitdiff
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tree
2008-05-07
rieger
edited outp
u
t ro
u
tine for
directions
commit
|
commitdiff
|
tree
2008-05-07
rieger
chang
e
d interactions in
i
, to check fo
r
pro
p
er treatment
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
rieger
added
s
ome variable
o
u
tput for debugg
i
ng
commit
|
commitdiff
|
tree
2008-05-07
r
i
eger
put increme
n
ting and resetting of res
i
ze_fac
t
or
and
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
rieg
e
r
added str
d
up
duplicati
o
n
of k->pItem, using this as
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
rieger
several attempts to g
e
t pointers and de
r
eferencing
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
rieger
no compi
l
ation errors
f
or t
h
is version
commit
|
commitdiff
|
tree
2008-05-06
r
i
eger
next try using
i
string
s
tream object
commit
|
commitdiff
|
tree
2008-05-06
rieger
ever
a
l attempts to get typ matching right with all
.
.
.
commit
|
commitdiff
|
tree
2008-05-05
rieger
d
e
le
t
ed "
"
i
n
i
n
teraction
s
name
commit
|
commitdiff
|
tree
2008-04-30
rieger
adde
d
control output
of vari
a
ble total_int
e
raction
s
.
.
.
commit
|
commitdiff
|
tree
2008-04-30
rieger
changed symmetrie encod
i
ng in s
t
ructure
.
ini
commit
|
commitdiff
|
tree
2008-04-30
r
i
eger
edited read_i
n
i_inte
r
action
s
, a
d
ded some control output
commit
|
commitdiff
|
tree
2008-04-30
Michael Rieger
adde
d
contructo
r
loo
p
for d
i
rect
i
ons ar
r
ay as an attempt
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
rieger
some te
s
ts for corr
e
ct nam
e
assig
n
m
e
nt -
not su
c
cessful
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
rieger
re
a
ding
routine for interac
t
ions
.
ini
commit
|
commitdiff
|
tree
2008-04-29
rieger
added enums
f
o
r interactions paramet
e
rs to interactions
.
.
.
commit
|
commitdiff
|
tree
2008-04-24
rieger
added interactions
.
in
i
f
i
le to be tr
a
c
ked as well
commit
|
commitdiff
|
tree
2008-04-24
rieg
e
r
try to implement
proper data
s
tr
u
ctur
e
f
or intera
c
ti
o
ns
.
.
.
commit
|
commitdiff
|
tree
2008-04-21
r
ieger
added explanation
s
i
n
.
ini fil
e
commit
|
commitdiff
|
tree
2008-04-18
rieg
e
r
added includes for pr
o
per compili
n
g under linux
commit
|
commitdiff
|
tree
2008-04-17
M
ich
a
e
l
Rieger
changed CObr
_
pos i
n
dex to
index shifte
d
form for getting
.
.
.
commit
|
commitdiff
|
tree
2008-04-17
Michael
R
ieger
edited filling routine to check for cause
of error
commit
|
commitdiff
|
tree
2008-04-16
Michael Rieger
final
f
ormat defin
i
ti
o
n
of str
u
cture
.
ini file
commit
|
commitdiff
|
tree
2008-04-11
Mi
c
hael Rieger
changed input ini to check if getti
n
g
m
ultiple values
.
.
.
commit
|
commitdiff
|
tree
2008-04-11
Micha
e
l Riege
r
mo
d
if
i
ed
input
.
i
n
i
commit
|
commitdiff
|
tree
2008-04-10
Michael Rieger
ad
d
ed lattice initia
l
izati
o
n
commit
|
commitdiff
|
tree
2008-04-10
Michael
Rieger
added comp
a
ring k
e
ys of input file t
o
stri
n
g
ke
y
wor
d
s
.
.
.
commit
|
commitdiff
|
tree
2008-04-09
Michael Ri
e
ger
edi
t
e
d
outpu
t
r
outi
n
e and deleted tmp direct
o
ry to
.
.
.
commit
|
commitdiff
|
tree
2008-04-09
Michael Rieger
working in inpu
t
reading routine
commit
|
commitdiff
|
tree
2008-04-08
Michael R
i
ege
r
added ou
p
u
t
ro
u
ti
n
e
f
o
r all sections in
.
in
i
f
i
le
commit
|
commitdiff
|
tree
2008-04-07
M
ichael Rieg
e
r
ad
d
ed
usi
n
g
Blitz++ l
i
brary
commit
|
commitdiff
|
tree
2008-04-05
M
i
ch
a
e
l Rieger
added "to d
o
"
t
o read
_
ini subroutine
commit
|
commitdiff
|
tree
2008-04-05
M
ichael Ri
e
ger
edited input
.
in
i
file
,
giving first [cell] section
.
.
.
commit
|
commitdiff
|
tree
2008-04-05
Mich
a
el Rieger
added SimpleIni files
commit
|
commitdiff
|
tree
2008-04-05
M
ic
h
ael Rieger
added input
.
i
ni fi
l
e
commit
|
commitdiff
|
tree
2008-04-05
M
i
chael
R
ieger
add
e
d
subrout
i
ne f
o
r inpu
t
file re
a
d
i
n
g
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieg
e
r
a
d
ded Debug
d
irectory to
.
gitignore, added
.
gitignore
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
a
d
ded eclips
e
con
f
ig
u
ration files
commit
|
commitdiff
|
tree
2008-04-05
Micha
e
l R
i
eger
initi
a
l ch
e
ck in fo
r
c
l
uster expansion
p
r
oject for
.
.
.
commit
|
commitdiff
|
tree