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changed parsing again
2008-05-28
rieger
changed parsing again
commit
|
commitdiff
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tree
2008-05-28
rieger
m
o
ved LatticeParser a
n
d InteractionParser from main
.
.
.
commit
|
commitdiff
|
tree
2008-05-27
rieger
cha
n
ge
d
key
name in st
r
ucture ini file
commit
|
commitdiff
|
tree
2008-05-27
ri
e
ger
added be
t
te
r
error handling and testing if it's a new
.
.
.
commit
|
commitdiff
|
tree
2008-05-27
rieg
e
r
ad
d
e
d
reading dft e
n
ergy
commit
|
commitdiff
|
tree
2008-05-27
r
i
e
g
er
adde
d
usa
g
e of Structur
e
Parser to clu
s
t
er_ex
p
a
nsion
.
cpp
commit
|
commitdiff
|
tree
2008-05-27
r
i
e
g
e
r
adde
d
StructureP
a
rser
t
o get S
t
ructure e
n
e
r
getics fro
m
.
.
.
commit
|
commitdiff
|
tree
2008-05-27
rieg
e
r
imp
l
ementation
o
f getEnergy()
commit
|
commitdiff
|
tree
2008-05-27
rieger
d
elete
d
SymmetryParser
.
Parsing is do
n
e
in Latti
c
ePars
e
r
.
.
.
commit
|
commitdiff
|
tree
2008-05-26
Michael Rieger
added Direction
.
h
commit
|
commitdiff
|
tree
2008-05-26
Mic
h
ael Rieger
added Symmet
r
yOperation
.
h
commit
|
commitdiff
|
tree
2008-05-26
Michael Rieger
fi
x
e
d
all
e
rrors with daniel
commit
|
commitdiff
|
tree
2008-05-26
Michael Rieger
Merge commit 'origin
/
dev_work' into dev_h
o
me
commit
|
commitdiff
|
tree
2008-05-23
r
ieger
c
omment edit
i
ng in s
t
ru
c
ture
.
h
commit
|
commitdiff
|
tree
2008-05-23
r
i
eger
a
dded vector
for on-site-ene
r
gie
s
to str
u
ct
u
re
.
h
commit
|
commitdiff
|
tree
2008-05-23
rieg
e
r
a
d
ded
Energeti
c
s section to strut
u
re
.
i
ni file
commit
|
commitdiff
|
tree
2008-05-23
r
i
e
ger
outlined getEnergy() implementation as co
m
ment
commit
|
commitdiff
|
tree
2008-05-23
rieg
e
r
im
p
lemen
t
ation of
g
e
tEner
g
y
(
)
commit
|
commitdiff
|
tree
2008-05-23
rieg
e
r
added Struc
t
ure
.
cpp
commit
|
commitdiff
|
tree
2008-05-23
r
ie
g
er
added dec
l
a
ration of fun
c
tion
g
etE
n
ergy()
commit
|
commitdiff
|
tree
2008-05-23
rieger
removed getEnergy
(
)
f
unctio
n
.
.
.
it's a feature of
structure
.
.
.
commit
|
commitdiff
|
tree
2008-05-22
rieger
compiling attempt
commit
|
commitdiff
|
tree
2008-05-22
rie
g
er
added
usage example for new clas
s
Structures
.
h
commit
|
commitdiff
|
tree
2008-05-22
ri
e
ger
a
dded c
o
ntructor f
o
r structure object
commit
|
commitdiff
|
tree
2008-05-22
rie
g
e
r
add
e
d S
t
r
u
ctur
e
.
h f
i
le for Structure data str
u
ct
u
re
commit
|
commitdiff
|
tree
2008-05-21
Michael
Rieger
d
e
let
e
d comment l
i
ne :)
commit
|
commitdiff
|
tree
2008-05-21
Michael Rieger
Merg
e
comm
i
t
'origin/dev_work' i
n
to dev_home
commit
|
commitdiff
|
tree
2008-05-21
Michael Ri
e
ger
a
d
ded comment
l
i
n
e
in
L
attice
P
arser
.
cpp
commit
|
commitdiff
|
tree
2008-05-21
rieger
im
p
lemented a frist tr
y
to include
s
ymmetry into int
e
ractio
n
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
r
i
ege
r
a
dded symmetry par
s
ing section to LatticePars
e
r
.
cpp
commit
|
commitdiff
|
tree
2008-05-21
rieger
added "Symmetr
y
Operations symme
t
ry"
t
o Lattice
.
h, lattice
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
r
i
eger
deleted Symmetr
y
Parser including in clust
e
r_expansi
o
n
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
r
i
eger
changed sym
m
et
r
y secti
o
n name to [Symme
t
ry]
.
.
.
extending
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rie
g
er
tried Symmetry
.
h imp
l
em
e
ntation similar t
o
I
n
t
e
r
actions
.
h
commit
|
commitdiff
|
tree
2008-05-21
rieger
c
h
a
n
ged intera
c
tio
n
vector normaliz
a
tion to c
e
ll si
z
e
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
r
ie
g
er
changed value c
h
ecki
n
g for inter
a
ction par
a
m
e
ters
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
cha
n
ge
d
usage of Siz
e
X, S
i
zeY as unit cell descriptors
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rie
g
er
Merge commit 'origin/dev_work
_
dani' into de
v
_
work
commit
|
commitdiff
|
tree
2008-05-21
rieger
s
t
art of addi
n
g symm
e
try p
a
rsing to L
a
tticeParse
r
.
cpp
commit
|
commitdiff
|
tree
2008-05-16
rieger
switched ex
e
cutab
l
e f
l
ag in clus
t
er_
e
xpa
n
sion
.
cpp
commit
|
commitdiff
|
tree
2008-05-16
rieger
implementation
of fun
c
tion checkInteractions
commit
|
commitdiff
|
tree
2008-05-14
rieger
m
o
v
ed c
h
eckInt
e
ractions
f
rom In
t
eractionsParser to
.
.
.
commit
|
commitdiff
|
tree
2008-05-14
M
ichael
Rieger
d
eleted ad
d
i
t
i
onal tabs
commit
|
commitdiff
|
tree
2008-05-13
r
i
eger
added
c
heck_interations routine to In
t
era
c
t
ionsParser
.
cpp
commit
|
commitdiff
|
tree
2008-05-13
riege
r
no
c
hang
e
s
commit
|
commitdiff
|
tree
2008-05-09
rieger
added f
i
l
e
s of
e
xper
i
mental symme
t
ry implementati
o
n
commit
|
commitdiff
|
tree
2008-05-09
rieger
adde
d
some tryout to i
m
p
lement
s
ymmetry
commit
|
commitdiff
|
tree
2008-05-07
ri
e
ger
fi
x
ed
s
o
me syn
t
ax
commit
|
commitdiff
|
tree
2008-05-07
rieger
edited o
u
tput
routine for dire
c
t
ions
commit
|
commitdiff
|
tree
2008-05-07
rie
g
er
changed
interactio
n
s in
i
,
t
o c
h
eck for pr
o
per trea
t
ment
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
rie
g
er
added
s
ome v
a
r
i
able output
f
o
r de
b
u
g
g
ing
commit
|
commitdiff
|
tree
2008-05-07
rieger
pu
t
increm
e
nting an
d
res
e
tti
n
g of resize_f
a
ctor and
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
rieger
added
str
d
up duplic
a
tio
n
of k->pItem, usi
n
g th
i
s as
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
rieger
seve
r
al
at
t
emp
t
s to
g
et pointe
r
s and deref
e
rencing
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
rieg
e
r
no compi
l
ation errors for
t
his version
commit
|
commitdiff
|
tree
2008-05-06
rieger
nex
t
t
ry
u
sing istringst
r
eam object
commit
|
commitdiff
|
tree
2008-05-06
ri
e
ger
e
v
eral attempts to get typ matching right with
a
ll
.
.
.
commit
|
commitdiff
|
tree
2008-05-05
rieger
deleted "" in int
e
r
actions name
commit
|
commitdiff
|
tree
2008-04-30
r
i
eger
added control
out
p
ut of
v
ariable
to
t
al_interaction
s
.
.
.
commit
|
commitdiff
|
tree
2008-04-30
ri
e
ger
ch
a
n
ged symmetr
i
e e
n
coding
i
n struc
t
ure
.
ini
commit
|
commitdiff
|
tree
2008-04-30
riege
r
edi
t
e
d
read_
i
ni_
i
nt
e
ractions, added so
m
e control o
u
tput
commit
|
commitdiff
|
tree
2008-04-30
Mi
c
hael Rieger
added c
o
ntructor lo
o
p for direct
i
ons a
r
ray as
an
at
t
empt
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
rieger
some
t
est
s
for
cor
r
e
ct n
a
me assignment - not successful
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
rieger
reading routine for interact
i
ons
.
ini
commit
|
commitdiff
|
tree
2008-04-29
rieger
added enu
m
s for inter
a
ctions
p
arameters
to i
n
t
e
ractions
.
.
.
commit
|
commitdiff
|
tree
2008-04-24
rieger
a
d
d
ed interactions
.
ini file
to be tracked as
w
ell
commit
|
commitdiff
|
tree
2008-04-24
rieger
try to imple
m
en
t
pro
p
e
r data structure
f
o
r
i
nteractions
.
.
.
commit
|
commitdiff
|
tree
2008-04-21
r
ieger
ad
d
ed explanations in
.
ini file
commit
|
commitdiff
|
tree
2008-04-18
rieger
a
dded i
n
clud
e
s for proper compiling under linux
commit
|
commitdiff
|
tree
2008-04-17
Mi
c
h
ae
l
Rieger
changed CObr_pos inde
x
to index shifted
f
o
r
m for getting
.
.
.
commit
|
commitdiff
|
tree
2008-04-17
Michael Rieger
edited filling ro
u
tine to check for c
a
u
s
e of error
commit
|
commitdiff
|
tree
2008-04-16
Mich
a
el
Rieger
final
f
or
m
at definit
i
on of struc
t
ure
.
ini file
commit
|
commitdiff
|
tree
2008-04-11
M
ichael Rieger
changed input ini
t
o
c
heck if getting multipl
e
val
u
e
s
.
.
.
commit
|
commitdiff
|
tree
2008-04-11
Mic
h
ael Rieger
modified i
n
p
ut
.
ini
commit
|
commitdiff
|
tree
2008-04-10
Michae
l
Rieger
added lattice initial
i
zati
o
n
commit
|
commitdiff
|
tree
2008-04-10
Michael
R
ieger
added comparing keys of
i
np
u
t
f
il
e
to s
t
ring
keywords
.
.
.
commit
|
commitdiff
|
tree
2008-04-09
M
ichael Rie
g
er
ed
i
ted outp
u
t rou
t
ine and deleted tmp directory to
.
.
.
commit
|
commitdiff
|
tree
2008-04-09
Mich
a
e
l
Rieger
working
in input readin
g
routine
commit
|
commitdiff
|
tree
2008-04-08
Michael Rieger
added ouput routine for all sect
i
ons
in
.
ini
f
i
le
commit
|
commitdiff
|
tree
2008-04-07
M
ichael Rieg
e
r
ad
d
e
d
u
sing Blitz+
+
libra
r
y
commit
|
commitdiff
|
tree
2008-04-05
Michae
l
Rieger
a
dded "to
do" to
r
ead_ini subrout
i
ne
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
e
dited
i
nput
.
ini file, gi
v
ing first [cell] section
.
.
.
commit
|
commitdiff
|
tree
2008-04-05
M
i
chael Rieger
add
e
d SimpleIni fi
l
es
commit
|
commitdiff
|
tree
2008-04-05
Mi
c
h
a
e
l
Rieg
e
r
add
e
d in
p
ut
.
ini file
commit
|
commitdiff
|
tree
2008-04-05
Michael
Riege
r
added
s
ubroutine
for input file re
a
din
g
commit
|
commitdiff
|
tree
2008-04-05
Michael R
i
eg
e
r
added Debug directory to
.
gitignore, added
.
gitignor
e
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
added eclipse c
o
nfiguration fil
e
s
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
initial chec
k
in for clus
t
er expansion project f
o
r
.
.
.
commit
|
commitdiff
|
tree