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Tweaked .gitignore
2008-05-28
rieger
changed parsing agai
n
commit
|
commitdiff
|
tree
2008-05-28
r
i
eger
moved LatticePars
e
r and Intera
c
tionParser
f
rom main
.
.
.
commit
|
commitdiff
|
tree
2008-05-27
ri
e
ger
c
h
anged key name in stru
c
t
u
re ini file
commit
|
commitdiff
|
tree
2008-05-27
rieger
added
b
e
t
ter error h
a
ndling and testing if it
'
s
a
new
.
.
.
commit
|
commitdiff
|
tree
2008-05-27
rieger
add
e
d
re
a
din
g
df
t
energy
commit
|
commitdiff
|
tree
2008-05-27
rie
g
er
a
d
ded usage
of Structu
r
eParser to cl
u
st
e
r_expansion
.
cpp
commit
|
commitdiff
|
tree
2008-05-27
rieg
e
r
a
d
ded Str
u
ctu
r
eParser to get Structure energetics fro
m
.
.
.
commit
|
commitdiff
|
tree
2008-05-27
rieger
implementati
o
n
of getE
n
ergy()
commit
|
commitdiff
|
tree
2008-05-27
rieger
delet
e
d
SymmetryParser
.
Parsing is d
o
n
e in Lat
t
i
c
ePa
r
ser
.
.
.
commit
|
commitdiff
|
tree
2008-05-26
Michael Rieger
added D
i
rection
.
h
commit
|
commitdiff
|
tree
2008-05-26
M
i
chael Rie
g
er
added SymmetryOpera
t
i
on
.
h
commit
|
commitdiff
|
tree
2008-05-26
Mic
h
a
el
Rieg
e
r
fix
e
d all errors w
i
th daniel
commit
|
commitdiff
|
tree
2008-05-26
Mic
h
a
e
l
R
ieger
Merge c
o
mmit 'origin
/
d
ev_work' into dev_
h
ome
commit
|
commitdiff
|
tree
2008-05-23
rieger
c
o
m
m
e
n
t
e
d
iting in
structu
r
e
.
h
commit
|
commitdiff
|
tree
2008-05-23
rieger
added
v
ecto
r
for on-site-energ
i
es to structure
.
h
commit
|
commitdiff
|
tree
2008-05-23
rieger
added Energetics section
t
o
st
r
u
ture
.
ini
f
ile
commit
|
commitdiff
|
tree
2008-05-23
rie
g
er
outlin
e
d
getE
n
e
r
gy
(
) implementation as comment
commit
|
commitdiff
|
tree
2008-05-23
rieger
implementation of
g
e
tEnergy()
commit
|
commitdiff
|
tree
2008-05-23
rieger
added
S
tructure
.
cpp
commit
|
commitdiff
|
tree
2008-05-23
rieger
added
dec
l
aration of
f
unction getEner
g
y()
commit
|
commitdiff
|
tree
2008-05-23
rie
g
er
removed
g
etEn
e
r
g
y
()
f
un
c
t
i
on
.
.
.
it's a fea
t
u
r
e o
f
structure
.
.
.
commit
|
commitdiff
|
tree
2008-05-22
rieger
compil
i
n
g
attempt
commit
|
commitdiff
|
tree
2008-05-22
rieger
added usage exa
m
ple for ne
w
class Structures
.
h
commit
|
commitdiff
|
tree
2008-05-22
rieger
a
d
ded
contructor for structure object
commit
|
commitdiff
|
tree
2008-05-22
ri
e
ger
added S
t
ructure
.
h
file fo
r
Structure dat
a
s
tructure
commit
|
commitdiff
|
tree
2008-05-21
Mi
c
hael Rieger
deleted c
o
mmen
t
line :)
commit
|
commitdiff
|
tree
2008-05-21
Micha
e
l Rieger
Me
r
ge com
m
i
t
'o
r
igin
/
dev_work'
i
nto dev_home
commit
|
commitdiff
|
tree
2008-05-21
Michael Rie
g
er
ad
d
ed c
o
mment li
n
e in LatticeParser
.
cp
p
commit
|
commitdiff
|
tree
2008-05-21
rieger
implemented
a fr
i
st t
r
y to include symmetry i
n
to in
t
eraction
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
added sy
m
metry parsing section to LatticePars
e
r
.
cpp
commit
|
commitdiff
|
tree
2008-05-21
riege
r
a
dd
e
d "SymmetryOperat
i
ons symmetr
y
" to Lattice
.
h, lattice
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
d
e
leted S
y
mm
e
tryParser
i
ncluding i
n
cl
u
ster_expansion
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
r
i
eger
changed
symmetry se
c
tion name to [Symmetry]
.
.
.
e
xtending
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
r
i
e
ger
tried Symm
e
t
ry
.
h implementation
s
imilar to Int
e
ractions
.
h
commit
|
commitdiff
|
tree
2008-05-21
r
i
eger
chan
g
ed inte
r
action vector norm
a
lization to ce
l
l
size
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
chang
e
d
value checking for i
n
teraction parameter
s
.
commit
|
commitdiff
|
tree
2008-05-21
r
i
eger
changed usage of SizeX, SizeY as
unit cell desc
r
iptors
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
M
e
r
ge com
m
it
'
or
i
gin/dev_wo
r
k
_dani' i
n
to
d
ev_work
commit
|
commitdiff
|
tree
2008-05-21
rieger
sta
r
t of
a
dd
i
ng
symmetry parsing to Latti
c
eParser
.
c
p
p
commit
|
commitdiff
|
tree
2008-05-16
rieger
swi
t
che
d
e
x
ecutab
l
e fla
g
in cluster_expansion
.
c
pp
commit
|
commitdiff
|
tree
2008-05-16
riege
r
i
mplement
a
tion
o
f f
u
nct
i
o
n
c
heckInteractions
commit
|
commitdiff
|
tree
2008-05-14
rieger
m
o
ved checkInte
r
acti
o
ns from Inte
r
actionsParser to
.
.
.
commit
|
commitdiff
|
tree
2008-05-14
M
i
chael Rieger
d
e
leted
a
d
d
iti
o
nal
tabs
commit
|
commitdiff
|
tree
2008-05-13
rieger
added
check_int
e
rations routi
n
e to InteractionsParser
.
cpp
commit
|
commitdiff
|
tree
2008-05-13
rieger
no ch
a
nges
commit
|
commitdiff
|
tree
2008-05-09
rieger
added files of exp
e
riment
a
l symmetry implementation
commit
|
commitdiff
|
tree
2008-05-09
rie
g
er
add
e
d
s
ome try
o
ut to implement symmetry
commit
|
commitdiff
|
tree
2008-05-07
rieg
e
r
fixed
s
ome synt
a
x
commit
|
commitdiff
|
tree
2008-05-07
rieger
edited ou
t
p
ut
r
o
u
t
ine for
d
i
r
ections
commit
|
commitdiff
|
tree
2008-05-07
rieger
changed int
e
ractions ini, to check
f
or proper tr
e
atment
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
rieger
added s
o
me variable output
for debugg
i
ng
commit
|
commitdiff
|
tree
2008-05-07
ri
e
ge
r
pu
t
incre
m
enting and r
e
set
t
ing of resize_fa
c
tor a
n
d
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
r
ieger
added strdup
dup
l
ication of k
-
>pItem, us
i
ng th
i
s a
s
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
rieg
e
r
several attempts t
o
g
et
po
i
nters
and dereferenc
i
ng
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
ri
e
ger
no co
m
pilation errors fo
r
t
h
i
s
v
ersion
commit
|
commitdiff
|
tree
2008-05-06
riege
r
next try using istr
i
ngstream object
commit
|
commitdiff
|
tree
2008-05-06
r
ie
g
er
e
ver
a
l attempts to get typ m
a
tc
h
in
g
right with
a
l
l
.
.
.
commit
|
commitdiff
|
tree
2008-05-05
rieger
deleted "" in
in
t
er
a
ctions name
commit
|
commitdiff
|
tree
2008-04-30
riege
r
added contro
l
output of vari
a
b
le total_interaction
s
.
.
.
commit
|
commitdiff
|
tree
2008-04-30
rieger
chan
g
e
d
symmetrie encod
i
ng
in structure
.
ini
commit
|
commitdiff
|
tree
2008-04-30
rieger
edited
r
ead_i
n
i
_
interactio
n
s, added so
m
e
control output
commit
|
commitdiff
|
tree
2008-04-30
M
ichael Rieger
a
d
d
ed contruct
o
r loo
p
for directions array as an a
t
t
empt
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
rieger
some tests f
o
r
correct
n
ame assignme
n
t -
not s
u
ccessful
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
riege
r
readi
n
g ro
u
tine
for interact
i
ons
.
ini
commit
|
commitdiff
|
tree
2008-04-29
rieger
a
dd
e
d enums
for inter
a
ctions
p
ar
a
meters to
inte
r
ac
t
ion
s
.
.
.
commit
|
commitdiff
|
tree
2008-04-24
rieger
added
i
nteractions
.
ini file to be tracked as well
commit
|
commitdiff
|
tree
2008-04-24
rieger
t
ry to implem
e
n
t proper data
s
tructure for interactions
.
.
.
commit
|
commitdiff
|
tree
2008-04-21
r
i
eger
added explanation
s
in
.
i
ni file
commit
|
commitdiff
|
tree
2008-04-18
rieger
added includes fo
r
p
r
oper compiling under linux
commit
|
commitdiff
|
tree
2008-04-17
Michael Rieger
changed CObr_pos
index to index shifted form f
o
r getting
.
.
.
commit
|
commitdiff
|
tree
2008-04-17
Micha
e
l
R
i
ege
r
e
dited filling r
o
u
t
ine
t
o check for cause of
e
r
r
o
r
commit
|
commitdiff
|
tree
2008-04-16
Michael Ri
e
ger
final
f
ormat def
i
nition of structure
.
ini fi
l
e
commit
|
commitdiff
|
tree
2008-04-11
Michael Rieger
changed inpu
t
i
ni to
c
heck if
g
etting multiple
v
a
lues
.
.
.
commit
|
commitdiff
|
tree
2008-04-11
Michae
l
R
i
eger
m
o
d
ified
i
nput
.
ini
commit
|
commitdiff
|
tree
2008-04-10
Michae
l
Rieger
a
d
ded lattice init
i
alization
commit
|
commitdiff
|
tree
2008-04-10
M
ichael Rieger
ad
d
ed comparin
g
keys o
f
input file t
o
string
keywo
r
ds
.
.
.
commit
|
commitdiff
|
tree
2008-04-09
Mi
c
hael
Rie
g
er
edited output
r
outi
n
e and deleted
t
mp
d
irecto
r
y to
.
.
.
commit
|
commitdiff
|
tree
2008-04-09
Michae
l
Rieg
e
r
wo
r
king in
i
nput reading rou
t
i
n
e
commit
|
commitdiff
|
tree
2008-04-08
Michael Rieger
a
d
ded ouput rout
i
ne for all se
c
tions in
.
ini file
commit
|
commitdiff
|
tree
2008-04-07
Michael Ri
e
ger
added
using Blitz++
library
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
added
"to do" to read_ini
s
u
brouti
n
e
commit
|
commitdiff
|
tree
2008-04-05
Michael R
i
eger
edited in
p
ut
.
i
n
i file, giving first [cell] secti
o
n
.
.
.
commit
|
commitdiff
|
tree
2008-04-05
Mich
a
el Rieger
added SimpleIni
fil
e
s
commit
|
commitdiff
|
tree
2008-04-05
Michael Rie
g
er
added
i
np
u
t
.
ini
file
commit
|
commitdiff
|
tree
2008-04-05
M
ichael Rieger
a
d
d
ed subroutine for in
p
ut fi
l
e
r
eading
commit
|
commitdiff
|
tree
2008-04-05
Michae
l
Rieger
add
e
d Debu
g
dire
c
tory to
.
gitignore, added
.
gitignore
commit
|
commitdiff
|
tree
2008-04-05
Mic
h
a
e
l
Rieger
added ecli
p
se co
n
figurati
o
n
f
i
l
e
s
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
initial check in for clu
s
ter expansion pro
j
ec
t
for
.
.
.
commit
|
commitdiff
|
tree