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support for TMatrixInterpolator in TMatrixGenerator
2020-02-13
M
a
rek Nečada
su
p
p
ort for TMatrixI
n
terpol
a
t
or in TMatri
x
Generator
commit
|
commitdiff
|
tree
2020-02-04
Marek Neč
a
da
Irrep-decomposed scatsys beyn; fix
missing FinitePointGroup
.
.
.
commit
|
commitdiff
|
tree
2020-02-04
Marek Nečada
Beyn
algorithm
c
ython w
r
apper (finite systems)
commit
|
commitdiff
|
tree
2020-02-04
Marek Nečada
Beyn w
r
appers
f
or finite system
,
doxygen
commit
|
commitdiff
|
tree
2020-02-04
Mar
e
k Nečad
a
Bey
n
a
l
gorithm "
c
herry-pi
c
k" from 'newbey
n
_un
i
tc
e
ll'
commit
|
commitdiff
|
tree
2020-02-04
Ma
r
ek
Nečada
Fix
f
i
niter
e
ctlat-
m
odes
.
py obv
i
ous e
r
rors
.
commit
|
commitdiff
|
tree
2020-02-04
Marek
Nečada
Simple
f
init
e
řectangular lattice mod
e
s
e
a
r
ch script
commit
|
commitdiff
|
tree
2020-02-04
Ma
r
ek Nečada
Avoi
d
tmgen multiplic
i
ties (->slowdown) in Scatteri
n
gSystem
.
.
.
commit
|
commitdiff
|
tree
2020-02-04
Marek Nečada
Rem
o
ve build type hardcod
e
sp
e
c
.
commit
|
commitdiff
|
tree
2020-02-04
Marek Neča
d
a
F
ix me
m
ory leaks; us
e
e
r
r
o
r macros
commit
|
commitdiff
|
tree
2020-01-23
Marek Ne
č
ada
Extract an
d
inline tran
s
latio
n
mat
r
ix reordering p
r
oc
e
d
ure
.
commit
|
commitdiff
|
tree
2020-01-23
Marek Neča
d
a
Mi
n
o
r
t
ransl
a
ti
o
ns ref
a
c
t
oring
.
commit
|
commitdiff
|
tree
2020-01-21
Marek Nečada
Merge branch 'abstrac
t
_scatsystem'
commit
|
commitdiff
|
tree
2020-01-21
M
arek
N
ečada
Fi
x
a
n
other s
t
upid bugs
commit
|
commitdiff
|
tree
2020-01-20
Marek
N
ečad
a
Fix k-argument rel
a
ted bugs etc
.
commit
|
commitdiff
|
tree
2020-01-20
Ma
r
ek Neč
a
da
Fi
x
func
t
ion
n
ame
i
n header
.
commit
|
commitdiff
|
tree
2020-01-20
Marek Nečada
Fix unitiali
s
e
d values, asser
t
ion
.
commit
|
commitdiff
|
tree
2020-01-20
Marek Nečada
Disable useless
c
ompiler warni
n
gs
.
commit
|
commitdiff
|
tree
2020-01-17
Marek Neč
a
da
Fix ind
e
x mi
s
m
a
t
ch
commit
|
commitdiff
|
tree
2020-01-16
M
a
rek Nečada
f
i
x
q
pms_tmatrix_
c
opy and pointer fo
r
compariso
n
commit
|
commitdiff
|
tree
2020-01-16
Marek Nečada
f
i
x q
p
ms_t
m
atrix_
c
op
y
commit
|
commitdiff
|
tree
2020-01-16
M
a
rek Nečada
Support for co
n
stant T
-
ma
t
rix gener
a
t
or in
c
ython
.
commit
|
commitdiff
|
tree
2020-01-16
M
arek Nečada
Set medium gene
r
ators
commit
|
commitdiff
|
tree
2020-01-16
Marek Nečada
Imp
l
ement prev
i
ously f
o
rgotte
n
functions
.
commit
|
commitdiff
|
tree
2020-01-15
Mare
k
Nečada
Rewrite Scattering
S
yste
m
.
Compiles, not tested
.
commit
|
commitdiff
|
tree
2020-01-14
Marek Nečada
Cython wr
a
pper o
v
e
r
qp
m
s_t
m
atri
x
_function_t
commit
|
commitdiff
|
tree
2020-01-14
M
a
r
ek Nečada
S
u
ppor
t
for constant T
-
matrix
generator in cython
.
commit
|
commitdiff
|
tree
2020-01-14
Mare
k
Nečada
WI
P
cyth
o
n
s
catsystem
commit
|
commitdiff
|
tree
2020-01-14
Marek Neč
a
da
Minor docs u
p
date in scatsystem
.
h
commit
|
commitdiff
|
tree
2020-01-10
Marek Nečada
WIP Updatin
g
the cyth
o
n scatsystem etc
.
commit
|
commitdiff
|
tree
2020-01-10
M
a
rek Nečada
Update qpm
s
_cdefs
.
pyx
commit
|
commitdiff
|
tree
2020-01-10
Marek Nečada
Defa
u
lt tolerance constant
.
commit
|
commitdiff
|
tree
2020-01-10
Marek Nečada
F
orgotte
n
function r
e
na
m
es
commit
|
commitdiff
|
tree
2020-01-10
M
a
rek Nečada
Rewriting scatsystem:
c
ompiles without
e
rrors now
.
commit
|
commitdiff
|
tree
2020-01-09
Marek Nečada
WIP
R
ewriting scatsystem
.
commit
|
commitdiff
|
tree
2020-01-09
Mare
k
Nečada
Ne
w
qpms_scat
s
ys_
a
pply_symmetry kin
d
a d
o
ne?
commit
|
commitdiff
|
tree
2020-01-08
Mar
e
k
N
e
ča
d
a
W
I
P
n
e
w
scatsystem
commit
|
commitdiff
|
tree
2020-01-08
M
a
rek
N
e
č
ada
Copying
o
f T-matrix operations
commit
|
commitdiff
|
tree
2020-01-08
Marek Ne
č
ada
S
ome new
convenience fun
c
t
i
o
n
s and typ
e
s
.
commit
|
commitdiff
|
tree
2020-01-07
M
a
r
e
k Nečada
WI
P
scatsystem upda
t
e for "
a
bstrac
t
" T-matrices
.
commit
|
commitdiff
|
tree
2020-01-07
M
ar
e
k Nečada
I
mplementatio
n
of
qp
m
s
_tmatrix_apply_oper
a
tion()
.
commit
|
commitdiff
|
tree
2020-01-06
Marek Nečada
T-matrix ge
n
eral operation
ty
p
e definit
i
ons an
d
destructor
.
commit
|
commitdiff
|
tree
2019-12-21
Marek Ne
č
ada
W
IP dat
a
structure redefin
i
tions
.
commit
|
commitdiff
|
tree
2019-12-19
Marek
Neča
d
a
WIP abstract t-matrices
commit
|
commitdiff
|
tree
2019-12-19
Marek Nečada
Fix imp
o
r
ts
in symmet
r
i
e
s
.
py
commit
|
commitdiff
|
tree
2019-12-14
Marek
N
eč
a
d
a
Upgrades to a
r
gpro
c
.
py
,
fi
n
it
e
rectangular lattice
.
.
.
commit
|
commitdiff
|
tree
2019-12-14
Mar
e
k Nečada
(Temporary) Makefile for calculatin
g
b
ench
m
ark T-matri
c
e
s
commit
|
commitdiff
|
tree
2019-12-14
Mare
k
Nečad
a
P
r
epara
t
i
ons for SCU
F
F-EM be
n
chm
a
r
ks
commit
|
commitdiff
|
tree
2019-12-14
Marek N
e
č
a
d
a
D
o
n't imp
o
rt
legacy
co
d
e to
speed
u
p q
p
ms import
.
commit
|
commitdiff
|
tree
2019-12-14
Marek Nečada
cytma
t
ri
x
int
e
rpolator: access f
r
e
q
ue
n
cy table from
.
.
.
commit
|
commitdiff
|
tree
2019-12-14
Marek Neča
d
a
New CLI argument processing
commit
|
commitdiff
|
tree
2019-11-17
Marek Nečada
Add nogil
commit
|
commitdiff
|
tree
2019-11-17
Marek Nečada
m
o
de
p
roblem matrix parallel
i
mplementation to become
.
.
.
commit
|
commitdiff
|
tree
2019-11-14
Marek
Nečada
Finite square
l
attice scatteri
n
g sc
r
ipt
commit
|
commitdiff
|
tree
2019-11-14
Marek Nečada
Fix in
v
a
l
i
d p
o
inter
i
n qpms_appl
y
_t
m
atri
x
.
commit
|
commitdiff
|
tree
2019-11-12
Ma
r
ek
Nečad
a
Try to recover from failed quadrature
.
commit
|
commitdiff
|
tree
2019-11-08
Marek Nečada
M
u
lti-thre
a
ded integration in axial symmetric T-matrix
.
commit
|
commitdiff
|
tree
2019-11-08
Marek
N
ečada
Fix sign
i
n Drude-L
o
rentz mod
e
l
.
commit
|
commitdiff
|
tree
2019-11-06
Marek Neča
d
a
Complexify w
a
venumber in (
f
inite)
t
ranslation operat
o
rs
.
commit
|
commitdiff
|
tree
2019-11-06
Marek Nečada
Make th
e
additional Dr
u
de-Loren
t
z par
a
meters availab
l
e
.
.
.
commit
|
commitdiff
|
tree
2019-11-04
M
a
r
e
k Nečad
a
Some
more Drude-Lorentz data
f
rom d
r
u
d
e
lorentz
.
com
commit
|
commitdiff
|
tree
2019-11-04
M
a
rek
N
ečada
Merge bra
n
c
h 'beyn_rework'
commit
|
commitdiff
|
tree
2019-11-04
M
a
r
ek Nečada
Allo
w
to select only either of long/sh
o
rt
range
E
w
ald
.
.
.
commit
|
commitdiff
|
tree
2019-10-09
M
a
rek
N
e
č
ada
R
e
move the bran
c
h cut
at negativ
e
real axis in Ewald
.
.
.
commit
|
commitdiff
|
tree
2019-10-07
Ma
r
ek Nečada
Exte
n
d
hardcoded T-matrix similarity tolerance
.
commit
|
commitdiff
|
tree
2019-10-05
M
a
rek
N
ečada
B
a
sic
b
ranc
h
s
e
l
ection
functionality for
i
nc
o
m
p
lete Γ
.
commit
|
commitdiff
|
tree
2019-10-05
Mare
k
Neča
d
a
Minor stuff
.
commit
|
commitdiff
|
tree
2019-10-02
Marek Nečada
Expose low-level scalar Ewald sums via cython
.
commit
|
commitdiff
|
tree
2019-10-02
Marek Nečada
ewa
l
d
.
h
c
l
ea
n
up
commit
|
commitdiff
|
tree
2019-10-02
M
are
k
Neč
a
da
Fix me
m
set size in Mie
T
-matrix generator
.
commit
|
commitdiff
|
tree
2019-10-01
Mar
e
k Nečad
a
Be
y
n
integ
r
ation
c
ontours t
o
pxd
commit
|
commitdiff
|
tree
2019-10-01
Marek Nečada
Free un
f
inished PGens from Ewald
sums
.
commit
|
commitdiff
|
tree
2019-09-30
Marek Nečad
a
Exp
e
rimenta
l
speedup by earli
e
r cutoff
for Ewald summation
.
commit
|
commitdiff
|
tree
2019-09-30
Marek Nečad
a
K
i
dney contour basic
t
e
s
t
commit
|
commitdiff
|
tree
2019-09-30
Marek Neča
d
a
T
est and fix the
r
ounded half-elli
p
se c
o
ntour
.
.
commit
|
commitdiff
|
tree
2019-09-29
Ma
r
ek Neč
a
da
WI
P
Alternative in
t
egration contour (unteste
d
)
commit
|
commitdiff
|
tree
2019-09-26
Marek Nečad
a
W
I
P tr
y
ing to
f
i
x the half-ellips
e
contour
.
commit
|
commitdiff
|
tree
2019-09-26
Marek Neča
d
a
Fix d
e
rivatives in integration co
n
tours
.
commit
|
commitdiff
|
tree
2019-09-26
Marek Nečada
"H
a
lf-ellipse" integration con
t
our
.
commit
|
commitdiff
|
tree
2019-09-23
Marek Nečada
Ewa
l
d t
r
anslation calc
u
lator function using b
a
se specs
.
commit
|
commitdiff
|
tree
2019-09-17
Marek Ne
č
a
d
a
Exper
i
m
e
nts with Beyn's a
l
go
r
ithm an
d
singularities
.
commit
|
commitdiff
|
tree
2019-09-17
M
are
k
Nečad
a
Additional test to Beyn sol
v
er
(
E
x
am
p
l
e
4
.
9)
.
commit
|
commitdiff
|
tree
2019-09-17
Marek Nečada
Beyn: functionality for testing i
f
point
s
are ins
i
de
.
.
.
commit
|
commitdiff
|
tree
2019-09-17
Marek Nečada
Some comments t
o
beyn
.
c
commit
|
commitdiff
|
tree
2019-09-16
M
ar
e
k Nečada
Handle k->0
i
n E
w
ald su
m
.
commit
|
commitdiff
|
tree
2019-09-16
Marek Nečada
B
eyn: keep singular val
u
es from
r
ank test
commit
|
commitdiff
|
tree
2019-09-13
Ma
r
ek N
e
čada
F
i
x infinite loop in empty
l
attice mode
s
generati
o
n
commit
|
commitdiff
|
tree
2019-09-13
Marek Neča
d
a
Bug fi
x
es
m
os
t
ly
in lattice generator
s
.
commit
|
commitdiff
|
tree
2019-09-13
M
a
rek
Neča
d
a
2d
e
mpty
lattice
m
odes pxd; fix a corner case
.
commit
|
commitdiff
|
tree
2019-09-13
M
a
rek Nečada
M
o
de frequency calcula
t
i
ons
f
or empt
y
lattices
.
commit
|
commitdiff
|
tree
2019-09-10
Marek
Neča
d
a
Bey
n
mino
r
fixes, cl
e
aner
A
PI
.
commit
|
commitdiff
|
tree
2019-09-10
M
ar
e
k Nečada
Public beyn
_
re
s
ult_g
s
l_t -> beyn_result_gsl_
t
conver
t
or
.
commit
|
commitdiff
|
tree
2019-09-09
Marek Nečada
cdefs
for bey
n
.
h
commit
|
commitdiff
|
tree
2019-09-07
Marek N
e
čada
So
m
e 3D
lat
t
ice fun
c
tionality,
l
ittle refact
o
ring
.
commit
|
commitdiff
|
tree
2019-09-02
Marek Nečada
I
ncrement
a
l
c
leanup
.
commit
|
commitdiff
|
tree
2019-09-02
Ma
r
ek Nečada
Incrementa
l
cleanup a
n
d styl
e
a
ssi
m
ilat
i
on
commit
|
commitdiff
|
tree
2019-09-02
M
a
rek Nečada
QPMS_UNLIKELY macros to qpms_error
.
h
commit
|
commitdiff
|
tree
2019-09-02
Marek Neča
d
a
I
m
p
l
e
m
ent an API for Beyn's a
l
gorit
h
m with stand
a
rd
.
.
.
commit
|
commitdiff
|
tree
2019-09-02
Marek Nečada
Beyn p
u
re
C
api
headers
commit
|
commitdiff
|
tree
2019-08-31
Marek Nečada
Be
y
n solver new API
commit
|
commitdiff
|
tree
next