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implemented a frist try to include symmetry into interactionAssessment routine
2008-05-21
rieger
implemented a fris
t
try to inclu
d
e symmetry
into
i
nteractio
n
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
r
ieger
added symmetry
p
a
r
sing s
e
ction to
LatticeP
a
rser
.
cpp
commit
|
commitdiff
|
tree
2008-05-21
r
ieger
added "SymmetryOpe
r
ation
s
symmetry" to L
a
ttice
.
h, lattice
.
.
.
commit
|
commitdiff
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tree
2008-05-21
r
i
eger
delete
d
Symm
e
try
P
a
rser incl
u
ding in cluster_
e
xpansion
.
.
.
commit
|
commitdiff
|
tree
2008-05-21
riege
r
changed symmetry section name to [Symmetry]
.
.
.
extendin
g
.
.
.
commit
|
commitdiff
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tree
2008-05-21
rieger
trie
d
Symme
t
ry
.
h imp
l
ementation similar to Inter
a
cti
o
ns
.
h
commit
|
commitdiff
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tree
2008-05-21
rieger
changed in
t
er
a
ction ve
c
t
o
r normaliz
a
tion
t
o
cell size
.
.
.
commit
|
commitdiff
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tree
2008-05-21
rieger
chan
g
ed val
u
e
c
he
c
king for interac
t
ion parameters
.
commit
|
commitdiff
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tree
2008-05-21
r
iege
r
cha
n
ged u
s
a
ge of SizeX, SizeY as unit cell descri
p
tors
.
.
.
commit
|
commitdiff
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tree
2008-05-21
rieger
Merge commit
'
origin/dev_work_dani' i
n
to dev_work
commit
|
commitdiff
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tree
2008-05-21
rieger
start of add
i
ng
sy
m
m
e
t
r
y parsing to
L
atti
c
ePars
e
r
.
cpp
commit
|
commitdiff
|
tree
2008-05-16
rieger
swi
t
ched
e
xecutable flag
in cluster_ex
p
ansi
o
n
.
cpp
commit
|
commitdiff
|
tree
2008-05-16
r
i
eger
i
mpl
e
mentation of funct
i
on
checkInteractions
commit
|
commitdiff
|
tree
2008-05-14
r
ieg
e
r
mov
e
d check
I
nteractions f
r
om I
n
teraction
s
Pa
r
ser
to
.
.
.
commit
|
commitdiff
|
tree
2008-05-13
rieger
added ch
e
ck_interat
i
ons
r
outine to InteractionsParser
.
cpp
commit
|
commitdiff
|
tree
2008-05-13
rieg
e
r
no ch
a
nges
commit
|
commitdiff
|
tree
2008-05-09
rieger
added fi
l
e
s
of
exper
i
mental
symmetry
i
mp
l
em
e
ntation
commit
|
commitdiff
|
tree
2008-05-09
rieger
a
dded so
m
e tryout to imp
l
ement symmetry
commit
|
commitdiff
|
tree
2008-05-07
r
i
ege
r
fixed some syntax
commit
|
commitdiff
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tree
2008-05-07
rieger
edited
output
r
outine for d
i
r
ections
commit
|
commitdiff
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tree
2008-05-07
rieg
e
r
cha
n
ged interact
i
ons ini, to check for p
r
oper tr
e
atment
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
r
ieger
added some v
a
r
iable
o
utput for debu
g
ging
commit
|
commitdiff
|
tree
2008-05-07
rieger
put incrementing an
d
re
s
etting
of resize_factor and
.
.
.
commit
|
commitdiff
|
tree
2008-05-07
rieger
added strdup dup
l
ication of k->pItem,
u
s
ing thi
s
as
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
rieger
several a
t
t
e
m
pts to get pointer
s
and dereferenc
i
ng
.
.
.
commit
|
commitdiff
|
tree
2008-05-06
rie
g
e
r
no comp
i
lation errors fo
r
t
his version
commit
|
commitdiff
|
tree
2008-05-06
rieger
next tr
y
using istringstream object
commit
|
commitdiff
|
tree
2008-05-06
r
i
eg
e
r
eve
r
al attem
p
ts
t
o get typ
mat
c
h
i
ng right with
all
.
.
.
commit
|
commitdiff
|
tree
2008-05-05
r
ieger
deleted
"
" i
n
interact
i
o
ns name
commit
|
commitdiff
|
tree
2008-04-30
rieger
added control output of variable total_interactions
.
.
.
commit
|
commitdiff
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tree
2008-04-30
rie
g
er
c
hanged symmetrie enco
d
i
n
g in structure
.
ini
commit
|
commitdiff
|
tree
2008-04-30
rieg
e
r
e
d
ited read_ini_interactions, added som
e
control outp
u
t
commit
|
commitdiff
|
tree
2008-04-29
rieger
some t
e
sts
f
o
r
correct name assig
n
ment - no
t
successful
.
.
.
commit
|
commitdiff
|
tree
2008-04-29
rieger
re
a
din
g
routine fo
r
interacti
o
ns
.
ini
commit
|
commitdiff
|
tree
2008-04-29
rieg
e
r
a
dded enums for interactions para
m
eters to interactions
.
.
.
commit
|
commitdiff
|
tree
2008-04-24
rieger
added
interactions
.
ini file to be
tracked as w
e
ll
commit
|
commitdiff
|
tree
2008-04-24
rieger
tr
y
to im
p
lement proper
d
ata st
r
ucture
for inter
a
ctio
n
s
.
.
.
commit
|
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|
tree
2008-04-21
rieger
added explana
t
ions in
.
ini file
commit
|
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|
tree
2008-04-18
rieger
added includ
e
s
for proper co
m
piling
u
nder l
i
nux
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|
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tree