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Updates to math/vec.h
2019-06-28
C
hris
t
ian B
l
au
A
d
d cop
y
and move op
e
ra
t
ions to density similarity
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commitdiff
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tree
2019-06-28
Christian Blau
Add class
to look up density fitting a
m
pli
t
u
des
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tree
2019-06-20
Christi
a
n Blau
Add coor
d
i
n
a
t
e
scaling cla
s
s
a
nd extend Transla
t
eAndSc
a
l
e
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tree
2019-06-20
Christian Bl
a
u
Allow non-unifo
r
m Gaussians
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tree
2019-06-20
Chr
i
s
tian Blau
A
d
d BasicVecto
r
sca
l
ing, max, min and toIvec
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tree
2019-06-18
Chr
i
stian
Blau
Mrc form
a
t h
e
ader to lattice coordinate t
r
an
s
form
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tree
2019-06-18
C
hristian Blau
Densit
y
s
i
milarity meas
u
re and gradient
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tree
2019-04-27
Christian Blau
mrc
d
e
nsity
map rea
d
ing/wr
i
ting
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tree
2019-04-27
Christian Blau
Thr
e
e dimensional c
o
o
rdia
n
te t
r
an
s
formation
.
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tree
2019-04-25
C
hristian Blau
density fit
t
ing forces
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tree
2019-04-22
Christian Blau
Th
r
ee dim
e
nsional gauss tr
a
nsform
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tree
2019-04-22
Chri
s
t
ian Blau
One dimensiona
l
Gaussian function
o
n lat
t
ice
.
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tree
2019-04-05
Chri
s
ti
a
n Blau
densityfitting -
M
DModule d
e
clarat
i
on
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tree
2019-03-22
Christian Blau
densityfitting - seria
l
izer for mrc he
a
der data
.
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tree
2019-03-19
Chris
t
ian Blau
d
ensi
t
yfit
t
ing - densit
y
file for
m
at (mrc) h
e
ader
.
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tree
2019-02-12
Chri
s
tia
n
Blau
3
x
3 mat
r
i
c
e
s
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tree
2019-02-11
Christi
a
n Bl
a
u
vi
e
w on MultiDimArray
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tree
2019-02-07
Christian Blau
mdspan - add bracket operator slici
n
g
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tree
2019-02-04
Chri
s
tian Blau
md
s
pa
n
- free
begin
and end fun
c
tions
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tree
2019-02-04
C
hristian
B
lau
m
u
l
tidimensional array - bugf
i
x swap
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tree
2019-01-24
C
h
r
i
stian
B
la
u
Rem
o
ve extra semicolon
s
c
ausing clang war
n
ings
.
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tree
2019-01-23
C
hristian Blau
Multidim
e
n
s
i
on
a
l data in can
o
n
ica
l
layo
u
t
.
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tree
2018-12-26
C
hristian Blau
mdspan - basic_mdspan and mdsp
a
n declaration
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tree
2018-12-20
Christian B
l
au
mdspan - b
a
sic accessor
policy
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tree
2018-12-20
Chri
s
tian Blau
mdspan - ma
p
p
i
ng for right layout
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tree
2018-12-04
Christia
n
Blau
m
dspan - exten
t
s of mult
i
dimensional arrays
.
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tree
2018-11-22
Christian Bl
a
u
md
s
pan - basi
c
infra
s
tructur
e
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tree
2018-08-30
Chr
i
s
t
ian Blau
C
onvert ess
e
n
ti
a
l
dynami
c
s C-structs
to C++ pt1
.
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2018-08-30
Chri
s
t
i
an Bl
a
u
Store es
s
ential dynami
c
s parameters
as vecto
r
s inst
e
ad
.
.
.
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2018-08-21
Christian Blau
Add test for str
u
c
t
u
ral similarity measures rmsd an
d
.
.
.
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2018-08-09
C
hr
i
s
t
ian Blau
Remove Debug Helpers from Essen
t
ial Dynamics
code
.
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2018-08-08
Chri
s
tian Blau
Local atom sets in rotation
a
l pulli
n
g
.
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2018-08-08
C
h
ri
s
tia
n
Bl
a
u
Ess
e
n
tial
d
yn
a
mics functions use const-ref for input
.
.
.
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2018-08-08
Christian Blau
Split essential
d
ynamics eigenve
c
tor reading
.
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2018-08-08
Chri
s
tian Blau
M
ake essential dynamics a C+
+
type
.
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2018-08-07
Christian Blau
L
o
cal ato
m
sets in compEL
/ i
o
n swapping code
.
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|
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tree
2018-08-04
Chri
s
tian Bla
u
Spli
t
essentia
l
dynamics rea
d
i
ng routine
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2018-07-17
C
hris
t
ian Blau
Local atom
set
h
andling durin
g
simulations
.
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2018-07-16
Chr
i
s
t
ian Blau
Add LocalAtomSet for han
d
ling atom indi
c
es
.
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