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Fix pre-submit build matrix and description
2019-06-28
Chri
s
tia
n
Blau
Add copy and move o
p
erations to density similarity
commit
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commitdiff
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tree
2019-06-28
Christian B
l
au
Add class t
o
look up density fitting
amplitude
s
commit
|
commitdiff
|
tree
2019-06-20
Chri
s
tian Blau
Add coordi
n
ate scalin
g
class
a
nd exte
n
d Trans
l
a
teAnd
S
cale
commit
|
commitdiff
|
tree
2019-06-20
Christian Blau
A
llow non-unifo
r
m Gaussians
commit
|
commitdiff
|
tree
2019-06-20
Christian Blau
Add
B
asicVecto
r
scaling, m
a
x
, min and toIvec
commit
|
commitdiff
|
tree
2019-06-18
C
h
ris
t
ia
n
Bl
a
u
Mrc form
a
t he
a
der
t
o lattice coo
r
dina
t
e transform
commit
|
commitdiff
|
tree
2019-06-18
Chri
s
tian Blau
Den
s
ity simila
r
i
ty measure
a
n
d
gradient
commit
|
commitdiff
|
tree
2019-04-27
C
hristian
Blau
mr
c
density map r
e
ad
i
n
g
/writing
commit
|
commitdiff
|
tree
2019-04-27
C
hristian
B
lau
Three dime
n
sional coordiante transfo
r
m
a
t
ion
.
commit
|
commitdiff
|
tree
2019-04-25
Ch
r
istian Blau
density fit
t
ing fo
r
ces
commit
|
commitdiff
|
tree
2019-04-22
C
h
r
is
t
ian Bla
u
Thr
e
e dimensio
n
al gauss transform
commit
|
commitdiff
|
tree
2019-04-22
C
hr
i
stian Blau
One dimensional Gaussian
f
u
n
ctio
n
o
n
lattice
.
commit
|
commitdiff
|
tree
2019-04-05
Christian Blau
de
n
sityfi
t
ti
n
g - MDModul
e
declar
a
t
ion
commit
|
commitdiff
|
tree
2019-03-22
Christian Bl
a
u
d
ensityfit
t
ing - serializer fo
r
mrc heade
r
data
.
commit
|
commitdiff
|
tree
2019-03-19
Chris
t
i
a
n Blau
de
n
s
i
tyfitti
n
g
-
den
s
ity file fo
r
ma
t
(mrc)
h
e
ader
.
commit
|
commitdiff
|
tree
2019-02-12
C
hristi
a
n Blau
3x3 matrices
commit
|
commitdiff
|
tree
2019-02-11
C
h
ristian Blau
view on M
u
ltiDi
m
Array
commit
|
commitdiff
|
tree
2019-02-07
Christian Bl
a
u
mdspan - add bracke
t
ope
r
ator slicing
commit
|
commitdiff
|
tree
2019-02-04
Christian Blau
mdspan - f
r
ee
b
egin
and
e
n
d functions
commit
|
commitdiff
|
tree
2019-02-04
Ch
r
istian Blau
mul
t
idimensional ar
r
ay - bu
g
fix
s
wa
p
commit
|
commitdiff
|
tree
2019-01-24
Christia
n
Blau
Remove ext
r
a
s
em
i
colons
ca
u
sing clang wa
r
nin
g
s
.
commit
|
commitdiff
|
tree
2019-01-23
C
hris
t
ian Bl
a
u
Multi
d
i
m
e
nsional data
in canonical l
a
yout
.
commit
|
commitdiff
|
tree
2018-12-26
Ch
r
i
s
tian Blau
mdspan - basic_mdspan an
d
mdspan
d
eclaratio
n
commit
|
commitdiff
|
tree
2018-12-20
Chr
i
sti
a
n Blau
mdspan - basic access
o
r
p
olicy
commit
|
commitdiff
|
tree
2018-12-20
Chri
s
tian Blau
mdspan - mapping
f
o
r right layout
commit
|
commitdiff
|
tree
2018-12-04
Chris
t
ian Bl
a
u
mdspan - extents of m
u
l
tidimensional arrays
.
commit
|
commitdiff
|
tree
2018-11-22
Ch
r
istian Blau
mds
p
an
-
basic infrast
r
ucture
commit
|
commitdiff
|
tree
2018-08-30
Christian Blau
Convert essential dynam
i
cs C-
s
tructs to C++ p
t
1
.
commit
|
commitdiff
|
tree
2018-08-30
Chr
i
sti
a
n Blau
St
o
r
e
essenti
a
l dynamics param
e
ters as vectors instead
.
.
.
commit
|
commitdiff
|
tree
2018-08-21
Chris
t
ian Blau
Add test
f
or struc
t
ural sim
i
larity me
a
sure
s
rmsd and
.
.
.
commit
|
commitdiff
|
tree
2018-08-09
Christian Blau
R
e
m
ove
D
e
b
ug Helpers from Essential
D
ynamics code
.
commit
|
commitdiff
|
tree
2018-08-08
Christian Blau
Loca
l
a
tom sets in ro
t
atio
n
al pull
i
ng
.
commit
|
commitdiff
|
tree
2018-08-08
Christian Bla
u
Essenti
a
l dynamics functions u
s
e
co
n
st-ref
f
or in
p
u
t
.
.
.
commit
|
commitdiff
|
tree
2018-08-08
Christ
i
an Blau
Split es
s
entia
l
d
y
na
m
ics eigenvector reading
.
commit
|
commitdiff
|
tree
2018-08-08
C
h
ris
t
ian Bl
a
u
Make essential dyn
a
mics a C++ type
.
commit
|
commitdiff
|
tree
2018-08-07
Chr
i
sti
a
n
Bl
a
u
Local atom sets in compE
L
/ ion swapping code
.
commit
|
commitdiff
|
tree
2018-08-04
C
h
ristian Blau
Spli
t
e
s
s
ential
dynamics reading r
o
u
t
ine
commit
|
commitdiff
|
tree
2018-07-17
Chris
t
ian
Blau
Local a
t
om set hand
l
i
n
g
d
u
r
ing simulation
s
.
commit
|
commitdiff
|
tree
2018-07-16
Christian
Blau
Ad
d
L
ocalAtomSet for h
a
n
dling at
o
m
in
d
ices
.
commit
|
commitdiff
|
tree