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Tweaked .gitignore
2008-05-28
ri
e
ger
cha
n
ged
p
arsing
again
commit
|
commitdiff
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tree
2008-05-28
rieger
m
o
ved
L
attice
P
arser and InteractionParser from main
.
.
.
commit
|
commitdiff
|
tree
2008-05-27
ri
e
ger
cha
n
ge
d
key name in struc
t
ure ini
file
commit
|
commitdiff
|
tree
2008-05-27
r
ieger
added bett
e
r
error handling and testing if it's
a
n
ew
.
.
.
commit
|
commitdiff
|
tree
2008-05-27
rieger
added rea
d
ing dft ene
r
gy
commit
|
commitdiff
|
tree
2008-05-27
r
ieger
added usage of
S
tructurePa
r
ser to clu
s
ter_expa
n
sion
.
cpp
commit
|
commitdiff
|
tree
2008-05-27
rieger
a
d
ded
StructurePars
e
r to get Str
u
cture e
n
ergetic
s
from
.
.
.
commit
|
commitdiff
|
tree
2008-05-27
rieger
implementation of ge
t
Ener
g
y()
commit
|
commitdiff
|
tree
2008-05-27
rieger
deleted SymmetryP
a
rs
e
r
.
P
a
rsing is don
e
in LatticePars
e
r
.
.
.
commit
|
commitdiff
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tree
2008-05-26
Micha
e
l Rieger
added Direction
.
h
commit
|
commitdiff
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tree
2008-05-26
Michael
R
iege
r
added Symme
t
ryOpera
t
ion
.
h
commit
|
commitdiff
|
tree
2008-05-26
Michael Rieger
fixed all er
r
or
s
with dan
i
el
commit
|
commitdiff
|
tree
2008-05-26
M
ic
h
ael Rieger
Merg
e
co
m
mit 'origin/d
e
v_work' into
d
e
v_home
commit
|
commitdiff
|
tree
2008-05-23
ri
e
ger
c
o
mment edit
i
ng i
n
structur
e
.
h
commit
|
commitdiff
|
tree
2008-05-23
r
i
eger
added vector for on-site-energies to structure
.
h
commit
|
commitdiff
|
tree
2008-05-23
rie
g
er
adde
d
Energ
e
ti
c
s section to strutu
r
e
.
ini f
i
le
commit
|
commitdiff
|
tree
2008-05-23
rieger
outlin
e
d getEne
r
gy() i
m
plementation as comment
commit
|
commitdiff
|
tree
2008-05-23
r
i
eger
implementatio
n
of getEnergy
(
)
commit
|
commitdiff
|
tree
2008-05-23
ri
e
ger
added Struc
t
ure
.
cpp
commit
|
commitdiff
|
tree
2008-05-23
r
i
eger
added declaration
o
f
f
u
ncti
o
n getEnergy()
commit
|
commitdiff
|
tree
2008-05-23
rieger
remo
v
ed g
e
tEnergy() functi
o
n
.
.
.
it's a feature
o
f st
r
ucture
.
.
.
commit
|
commitdiff
|
tree
2008-05-22
rie
g
e
r
compiling a
t
tempt
commit
|
commitdiff
|
tree
2008-05-22
rieg
e
r
add
e
d
usage exa
m
ple for
n
e
w c
l
ass
Structures
.
h
commit
|
commitdiff
|
tree
2008-05-22
r
i
eger
ad
d
ed contructor for
str
u
cture obj
e
ct
commit
|
commitdiff
|
tree
2008-05-22
rieger
a
d
ded Stru
c
tu
r
e
.
h f
i
l
e fo
r
Structure data st
r
uc
t
ur
e
commit
|
commitdiff
|
tree
2008-05-21
Michael Rieger
de
l
e
t
ed comment
l
i
ne :)
commit
|
commitdiff
|
tree
2008-05-21
Michael Rieger
Merge co
m
mit 'origin/
d
ev_work' into dev_home
commit
|
commitdiff
|
tree
2008-05-21
Michael Rieger
added commen
t
line i
n
Latti
c
eP
a
rser
.
cpp
commit
|
commitdiff
|
tree
2008-05-21
r
i
eger
im
p
lem
e
nted a frist try to include symmetry in
t
o i
n
teract
i
o
n
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
ri
e
ger
added s
y
mmetry pa
r
sin
g
sect
i
on t
o
L
a
tticeP
a
rser
.
cpp
commit
|
commitdiff
|
tree
2008-05-21
rieger
added "Symmetry
O
p
erations symmet
r
y" t
o
L
attice
.
h
, lattice
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
deleted Symmetry
P
arse
r
includ
i
n
g i
n
cluster_expansion
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
change
d
symm
e
try
section name
t
o [Sy
m
metry]
.
.
.
extend
i
n
g
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
tried Symmetry
.
h
implementati
o
n similar to Interactions
.
h
commit
|
commitdiff
|
tree
2008-05-21
rieger
c
h
anged in
t
eraction ve
c
tor no
r
m
a
lization to cell
size
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
r
i
eger
changed v
a
lue che
c
kin
g
for interacti
o
n pa
r
am
e
ters
.
commit
|
commitdiff
|
tree
2008-05-21
rieger
changed
u
s
a
ge of Si
z
e
X,
Size
Y
a
s
unit cell des
c
riptors
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
ri
e
g
e
r
Merge
c
o
m
mit '
o
rigin/d
e
v_work_dan
i
' i
n
t
o
dev_work
commit
|
commitdiff
|
tree
2008-05-21
rieger
start
o
f a
d
din
g
symmetry
p
ar
s
ing t
o
LatticeP
a
rser
.
cpp
commit
|
commitdiff
|
tree
2008-05-16
rieger
s
witched exec
u
tabl
e
flag in cluster_expansion
.
cpp
commit
|
commitdiff
|
tree
2008-05-16
riege
r
im
p
lem
e
ntat
i
on of f
u
n
ction
checkInteractions
commit
|
commitdiff
|
tree
2008-05-14
rie
g
er
moved checkIn
t
e
r
ac
t
ions from Interac
t
i
o
nsPa
r
s
er
to
.
.
.
commit
|
commitdiff
|
tree
2008-05-14
M
ichae
l
R
i
e
ge
r
delete
d
add
i
t
ion
a
l tabs
commit
|
commitdiff
|
tree
2008-05-13
rieg
e
r
added check_interations rou
t
in
e
t
o Inter
a
ctio
n
sParser
.
cpp
commit
|
commitdiff
|
tree
2008-05-13
rieger
no ch
a
nges
commit
|
commitdiff
|
tree
2008-05-09
rieger
adde
d
files
of exper
i
mental symmetry im
p
lementation
commit
|
commitdiff
|
tree
2008-05-09
rie
g
er
ad
d
ed some t
r
yout to implem
e
nt sy
m
metry
commit
|
commitdiff
|
tree
2008-05-07
rieger
f
ix
e
d some synt
a
x
commit
|
commitdiff
|
tree
2008-05-07
rieger
edited
output
r
outine
f
o
r dire
c
tions
commit
|
commitdiff
|
tree
2008-05-07
rieger
cha
n
ged interac
t
i
o
ns ini, to check for proper treatment
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
r
i
eger
added some
variab
l
e output for debu
g
ging
commit
|
commitdiff
|
tree
2008-05-07
ri
e
ger
p
u
t incrementing and resettin
g
of r
e
size_factor and
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
rieger
added strdup duplication of k->pItem,
u
sing this
a
s
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
ri
e
ger
several attempts t
o
get pointers
a
nd derefe
r
enc
i
ng
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
rie
g
er
n
o
compila
t
ion errors for thi
s
v
e
rsion
commit
|
commitdiff
|
tree
2008-05-06
riege
r
next
t
ry using
istringstream object
commit
|
commitdiff
|
tree
2008-05-06
rieg
e
r
e
veral
attempts to get typ matching right wit
h
a
ll
.
.
.
commit
|
commitdiff
|
tree
2008-05-05
rieg
e
r
dele
t
ed "" in interactions name
commit
|
commitdiff
|
tree
2008-04-30
rieger
a
dded contr
o
l output o
f
variable tota
l
_interactions
.
.
.
commit
|
commitdiff
|
tree
2008-04-30
rieger
changed symm
e
trie e
n
c
odi
n
g in structu
r
e
.
ini
commit
|
commitdiff
|
tree
2008-04-30
r
ieger
edited read
_
ini_in
t
eractions,
added some control output
commit
|
commitdiff
|
tree
2008-04-30
Micha
e
l
R
ieger
a
dded contr
u
c
t
or loop f
o
r
direc
t
io
n
s a
r
ray as an attempt
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
rieger
some tests for co
r
rect name as
s
ignment - not
s
ucces
s
ful
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
rieger
read
i
n
g
r
outine for intera
c
tions
.
in
i
commit
|
commitdiff
|
tree
2008-04-29
rieg
e
r
added enums
for
i
nteractions
parameters to i
n
t
eractions
.
.
.
commit
|
commitdiff
|
tree
2008-04-24
rieger
added interact
i
o
n
s
.
ini file to be track
e
d as
w
ell
commit
|
commitdiff
|
tree
2008-04-24
rieg
e
r
try to i
m
plement p
r
ope
r
data structure for
i
nteractions
.
.
.
commit
|
commitdiff
|
tree
2008-04-21
rieger
a
dded explanations in
.
i
ni fil
e
commit
|
commitdiff
|
tree
2008-04-18
rieger
added includes
f
o
r
proper
c
o
m
pi
l
ing
u
nder linux
commit
|
commitdiff
|
tree
2008-04-17
Micha
e
l Rieger
changed CObr_pos in
d
ex t
o
index shifted form fo
r
get
t
i
ng
.
.
.
commit
|
commitdiff
|
tree
2008-04-17
Michael Rieger
e
d
ited fill
i
ng routine t
o
check for c
a
use
o
f error
commit
|
commitdiff
|
tree
2008-04-16
Michael Rieger
fina
l
f
o
rmat definition of
stru
c
t
u
re
.
ini file
commit
|
commitdiff
|
tree
2008-04-11
Mich
a
el Rieg
e
r
ch
a
nged inp
u
t ini to
c
heck
if gett
i
n
g
multiple v
a
lues
.
.
.
commit
|
commitdiff
|
tree
2008-04-11
Micha
e
l R
i
eger
modified input
.
ini
commit
|
commitdiff
|
tree
2008-04-10
Michael Ri
e
ger
added lattice initialization
commit
|
commitdiff
|
tree
2008-04-10
Michael Rieger
a
dde
d
comparing keys
of input fi
l
e to st
r
i
ng keywords
.
.
.
commit
|
commitdiff
|
tree
2008-04-09
M
i
chae
l
Rieger
edited outpu
t
routine and deleted tmp direct
o
ry
t
o
.
.
.
commit
|
commitdiff
|
tree
2008-04-09
Michael Riege
r
w
o
rking i
n
inpu
t
readin
g
routine
commit
|
commitdiff
|
tree
2008-04-08
Michael Riege
r
added oupu
t
r
o
u
t
ine for all sect
i
ons in
.
ini file
commit
|
commitdiff
|
tree
2008-04-07
Mic
h
ael Rieger
added usin
g
Blitz++ li
b
rary
commit
|
commitdiff
|
tree
2008-04-05
M
i
chael
Rieger
added "to do
"
to re
a
d_i
n
i subroutine
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
ed
i
ted input
.
ini fil
e
, giving first [cell] section
.
.
.
commit
|
commitdiff
|
tree
2008-04-05
Mic
h
ael Rieger
add
e
d Simpl
e
Ini fi
l
es
commit
|
commitdiff
|
tree
2008-04-05
Michael
R
ieger
a
dded input
.
ini file
commit
|
commitdiff
|
tree
2008-04-05
Michael Rie
g
er
adde
d
subrou
t
ine for in
p
ut file readin
g
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
added
D
ebug dir
e
ct
o
ry to
.
g
i
ti
g
nore, added
.
giti
g
n
o
re
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
added e
c
lipse configuratio
n
files
commit
|
commitdiff
|
tree
2008-04-05
Michael Rieger
initia
l
che
c
k
i
n fo
r
cluster exp
a
n
s
i
o
n
p
r
oject fo
r
.
.
.
commit
|
commitdiff
|
tree