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Tweaked .gitignore
2008-05-28
rieger
changed parsing
a
g
ain
commit
|
commitdiff
|
tree
2008-05-28
riege
r
moved Lat
t
iceP
a
rs
e
r a
n
d I
n
teractionPars
e
r from main
.
.
.
commit
|
commitdiff
|
tree
2008-05-27
rieger
cha
n
ged key name in structu
r
e
i
ni file
commit
|
commitdiff
|
tree
2008-05-27
rieger
added bette
r
error h
a
n
dl
i
n
g
an
d
testing if it'
s
a
new
.
.
.
commit
|
commitdiff
|
tree
2008-05-27
rie
g
e
r
added r
e
ading dft energy
commit
|
commitdiff
|
tree
2008-05-27
rieger
ad
d
ed usage of
S
t
r
uctureParser to cluster_ex
p
ansio
n
.
c
pp
commit
|
commitdiff
|
tree
2008-05-27
rie
g
er
added StructureParser
to get Structu
r
e ener
g
etics
f
rom
.
.
.
commit
|
commitdiff
|
tree
2008-05-27
rieger
implement
a
tion of getEnergy()
commit
|
commitdiff
|
tree
2008-05-27
rieger
delet
e
d Sym
m
etryParser
.
Par
s
in
g
is done in
L
attice
P
arser
.
.
.
commit
|
commitdiff
|
tree
2008-05-26
Michael
R
ieger
added Direct
i
on
.
h
commit
|
commitdiff
|
tree
2008-05-26
Michae
l
Rieger
added Symme
t
ryOperat
i
on
.
h
commit
|
commitdiff
|
tree
2008-05-26
Mich
a
el Rieger
fixe
d
all err
o
rs w
i
t
h
daniel
commit
|
commitdiff
|
tree
2008-05-26
Mic
h
a
e
l
Rieg
e
r
Merge
commit '
o
rigin
/
dev_work' i
n
to
dev_home
commit
|
commitdiff
|
tree
2008-05-23
r
i
e
ger
comment editing
i
n s
t
ructure
.
h
commit
|
commitdiff
|
tree
2008-05-23
rieger
ad
d
ed v
e
ctor for on-sit
e
-ener
g
ies to s
t
ructu
r
e
.
h
commit
|
commitdiff
|
tree
2008-05-23
rieger
added Energetics s
e
ction
t
o struture
.
ini
file
commit
|
commitdiff
|
tree
2008-05-23
r
i
eger
outli
n
ed getEnergy() implementation
a
s
c
omment
commit
|
commitdiff
|
tree
2008-05-23
rieger
implementation of
get
E
nergy
(
)
commit
|
commitdiff
|
tree
2008-05-23
rieger
added Stru
c
tu
r
e
.
cpp
commit
|
commitdiff
|
tree
2008-05-23
rieger
ad
d
ed
declaration of
function
g
etEnergy()
commit
|
commitdiff
|
tree
2008-05-23
rieger
removed getEnergy() function
.
.
.
i
t's a feature
o
f
structure
.
.
.
commit
|
commitdiff
|
tree
2008-05-22
rieger
com
p
iling attempt
commit
|
commitdiff
|
tree
2008-05-22
ri
e
ger
a
d
ded usage example for
new class St
r
uct
u
res
.
h
commit
|
commitdiff
|
tree
2008-05-22
r
ieger
add
e
d co
n
t
r
u
ctor
for struc
t
ure
object
commit
|
commitdiff
|
tree
2008-05-22
rieger
add
e
d St
r
uct
u
re
.
h fi
l
e for St
r
ucture
d
ata structure
commit
|
commitdiff
|
tree
2008-05-21
Mic
h
ael
Ri
e
ger
deleted comm
e
nt line
:
)
commit
|
commitdiff
|
tree
2008-05-21
M
i
chael
R
i
eger
M
erge co
m
mit 'origin/dev
_
w
ork' into dev_
h
ome
commit
|
commitdiff
|
tree
2008-05-21
Michael Rieger
added comment line in La
t
t
i
c
eParser
.
cpp
commit
|
commitdiff
|
tree
2008-05-21
rieger
implemented a
frist try t
o
include symmetry into interaction
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
ri
e
ger
ad
d
ed
s
ymme
t
ry p
a
r
s
i
n
g s
e
ction
t
o
La
t
ti
c
eParser
.
cpp
commit
|
commitdiff
|
tree
2008-05-21
rieger
added "Sy
m
metryO
p
erations
symmetry" to L
a
ttic
e
.
h, lat
t
i
c
e
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
r
i
e
g
er
d
eleted SymmetryP
a
rser includ
i
ng in clust
e
r_exp
a
n
sion
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
c
hang
e
d symmetry
sec
t
ion name to [Symmetry]
.
.
.
e
x
tendin
g
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
riege
r
tried Sy
m
metry
.
h
implemen
t
at
i
on simila
r
t
o
I
nteractions
.
h
commit
|
commitdiff
|
tree
2008-05-21
rieger
changed
i
n
teraction vector
no
r
m
a
lizat
i
on to
ce
l
l size
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rie
g
e
r
c
ha
n
ged
v
al
u
e c
h
ecking for interacti
o
n parameters
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
changed usage of SizeX, Si
z
eY
as unit cell descriptors
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
ri
e
ger
Merge
commit 'ori
g
in/dev_wo
r
k_dani' into dev_work
commit
|
commitdiff
|
tree
2008-05-21
rieger
s
tart of adding symme
t
r
y
pa
r
s
i
ng to LatticeParser
.
cpp
commit
|
commitdiff
|
tree
2008-05-16
ri
e
ger
switc
h
ed executable fl
a
g in cluster_expansion
.
cpp
commit
|
commitdiff
|
tree
2008-05-16
rieger
implem
e
ntat
i
on of function checkInte
r
acti
o
ns
commit
|
commitdiff
|
tree
2008-05-14
rieger
moved c
h
eckIn
t
eractions
from
Int
e
r
a
ctionsPar
s
e
r
to
.
.
.
commit
|
commitdiff
|
tree
2008-05-14
M
ichael
R
ie
g
er
deleted addit
i
onal
ta
b
s
commit
|
commitdiff
|
tree
2008-05-13
r
i
eger
added check_interations
r
outine to
I
nterac
t
ion
s
Parser
.
cpp
commit
|
commitdiff
|
tree
2008-05-13
rieger
no
c
hange
s
commit
|
commitdiff
|
tree
2008-05-09
r
i
eger
adde
d
files
of experim
e
ntal sy
m
metr
y
i
m
plementation
commit
|
commitdiff
|
tree
2008-05-09
r
i
eger
a
dded some
t
r
y
o
ut to
i
mplement
s
ymmetry
commit
|
commitdiff
|
tree
2008-05-07
rieger
fixed some syntax
commit
|
commitdiff
|
tree
2008-05-07
rieger
edit
e
d
output ro
u
tine
f
or direct
i
ons
commit
|
commitdiff
|
tree
2008-05-07
rieger
changed in
t
eractions ini, to check for proper treatment
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
ri
e
ger
add
e
d
some variable o
u
tput f
o
r debugging
commit
|
commitdiff
|
tree
2008-05-07
rieger
put incrementing and re
s
etting of resiz
e
_factor and
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
ri
e
ge
r
added
s
trdup duplication of
k
->p
I
t
em, usi
n
g
thi
s
as
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
rieger
several attempts to get pointers
a
nd derefe
r
encing
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
riege
r
no
compilation errors for
thi
s
v
ersion
commit
|
commitdiff
|
tree
2008-05-06
rieger
next
t
ry using istrings
t
ream object
commit
|
commitdiff
|
tree
2008-05-06
r
i
eger
everal
a
tt
e
mpts
to get
t
yp matching
r
ight with all
.
.
.
commit
|
commitdiff
|
tree
2008-05-05
rieger
deleted ""
i
n in
t
eractions name
commit
|
commitdiff
|
tree
2008-04-30
rieger
added
c
on
t
rol output of variable
total_
i
nter
a
c
tio
n
s
.
.
.
commit
|
commitdiff
|
tree
2008-04-30
rieger
changed sym
m
etrie enco
d
ing in structure
.
i
n
i
commit
|
commitdiff
|
tree
2008-04-30
rieger
edit
e
d
r
ead_ini_interactions, added some co
n
trol
o
utput
commit
|
commitdiff
|
tree
2008-04-30
Michae
l
R
i
eger
a
dd
e
d
c
o
n
tru
c
tor loop
f
or dire
c
tions array as an attempt
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
rieger
s
o
me t
e
s
ts
f
or corr
e
ct name ass
i
gnment -
not successful
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
rieger
readi
n
g routin
e
for int
e
r
a
ctions
.
ini
commit
|
commitdiff
|
tree
2008-04-29
r
i
eger
added enum
s
f
or interactions pa
r
a
meters
t
o interacti
o
ns
.
.
.
commit
|
commitdiff
|
tree
2008-04-24
rieg
e
r
a
d
ded
int
e
ractions
.
ini file t
o
be tra
c
ked as
well
commit
|
commitdiff
|
tree
2008-04-24
rieger
try to implement
prope
r
da
t
a
structure
for intera
c
tions
.
.
.
commit
|
commitdiff
|
tree
2008-04-21
rieger
added explanatio
n
s in
.
ini f
i
le
commit
|
commitdiff
|
tree
2008-04-18
rie
g
er
added
i
nclude
s
for proper compil
i
ng under linux
commit
|
commitdiff
|
tree
2008-04-17
Michael R
i
e
g
er
c
hanged CO
b
r_pos index
t
o index shif
t
e
d
form for getting
.
.
.
commit
|
commitdiff
|
tree
2008-04-17
Mich
a
el R
i
e
ger
edited
f
i
l
ling rou
t
ine to check
fo
r
cause of erro
r
commit
|
commitdiff
|
tree
2008-04-16
Micha
e
l Rieger
fi
n
a
l format defi
n
ition of
str
u
cture
.
i
n
i file
commit
|
commitdiff
|
tree
2008-04-11
Mich
a
e
l Rieger
changed
i
nput ini
t
o che
c
k
if getting multiple values
.
.
.
commit
|
commitdiff
|
tree
2008-04-11
M
i
chael Rieger
mo
d
ified input
.
ini
commit
|
commitdiff
|
tree
2008-04-10
Michael
R
ieger
added lattice
i
nitia
l
ization
commit
|
commitdiff
|
tree
2008-04-10
Mi
c
hael Rie
g
er
add
e
d
c
omparing keys
o
f input file
to string keywords
.
.
.
commit
|
commitdiff
|
tree
2008-04-09
Michael Rieger
edited o
u
tput r
o
utine and deleted
tmp directo
r
y to
.
.
.
commit
|
commitdiff
|
tree
2008-04-09
Michae
l
R
i
eger
working in input reading rout
i
ne
commit
|
commitdiff
|
tree
2008-04-08
M
i
chael Rieger
added o
u
put rout
i
ne for all sections in
.
ini
f
ile
commit
|
commitdiff
|
tree
2008-04-07
Mi
c
hael Rie
g
er
a
d
de
d
using Blitz++ library
commit
|
commitdiff
|
tree
2008-04-05
Michael
Riege
r
add
e
d "t
o
d
o"
to
re
a
d_in
i
subrou
t
ine
commit
|
commitdiff
|
tree
2008-04-05
Mi
c
hael
R
ieg
e
r
edi
t
ed input
.
ini
f
ile, giving first [cell
]
se
c
ti
o
n
.
.
.
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
a
dded SimpleIni files
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
a
d
d
e
d input
.
ini file
commit
|
commitdiff
|
tree
2008-04-05
Mi
c
hael R
i
eger
added subroutine for input file reading
commit
|
commitdiff
|
tree
2008-04-05
Mic
h
ael
Rieger
added Debug di
r
e
c
tory to
.
g
i
t
ignore, ad
d
e
d
.
gitignore
commit
|
commitdiff
|
tree
2008-04-05
Micha
e
l R
i
eger
add
e
d eclipse c
o
nfi
g
uratio
n
files
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
i
n
itial check
i
n f
o
r cluster e
x
p
a
nsion
project for
.
.
.
commit
|
commitdiff
|
tree