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New CLI argument processing
2019-12-14
Marek N
e
č
a
da
N
e
w C
L
I argume
n
t
p
rocessin
g
commit
|
commitdiff
|
tree
2019-11-17
Marek Nečada
A
dd
n
ogi
l
commit
|
commitdiff
|
tree
2019-11-17
Mare
k
Nečada
m
o
depro
b
le
m
matr
i
x parallel implementation to become
.
.
.
commit
|
commitdiff
|
tree
2019-11-14
Marek Nečada
F
i
nite square latt
i
ce sca
t
te
r
ing script
commit
|
commitdiff
|
tree
2019-11-14
Marek Neč
a
da
Fix i
n
va
l
id po
i
nter in qpms_a
p
ply_tmatrix
.
commit
|
commitdiff
|
tree
2019-11-12
M
arek Nečada
Try to recover from fai
l
ed qua
d
rature
.
commit
|
commitdiff
|
tree
2019-11-08
Ma
r
ek N
e
čada
Multi-threa
d
ed
integration in axial sym
m
etric T-matrix
.
commit
|
commitdiff
|
tree
2019-11-08
Marek Nečada
Fix sign
i
n
D
rude-Lorentz model
.
commit
|
commitdiff
|
tree
2019-11-06
Marek Neč
a
da
Complexify waven
u
mber in (f
i
n
i
te) translation operators
.
commit
|
commitdiff
|
tree
2019-11-06
Marek N
e
čada
Ma
k
e the addi
t
ional Dr
u
de-Lorentz
p
aramet
e
rs available
.
.
.
commit
|
commitdiff
|
tree
2019-11-04
M
a
re
k
Nečada
Some
m
o
re Drud
e
-Lorentz
d
ata f
r
om
d
ru
d
elorentz
.
co
m
commit
|
commitdiff
|
tree
2019-11-04
Mare
k
Nečada
Merge bran
c
h
'
beyn_rewo
r
k'
commit
|
commitdiff
|
tree
2019-11-04
Mare
k
Nečada
Allow to s
e
lect only either
of
l
ong/short range
Ewald
.
.
.
commit
|
commitdiff
|
tree
2019-10-09
M
a
rek Neča
d
a
Remove the branch cut a
t
negati
v
e real
a
x
is in E
w
a
l
d
.
.
.
commit
|
commitdiff
|
tree
2019-10-07
Marek Nečada
Extend h
a
rdcode
d
T-matrix simi
l
arity tolera
n
ce
.
commit
|
commitdiff
|
tree
2019-10-05
Mar
e
k
N
ečada
Basic bra
n
ch selection fu
n
ctionality for i
n
comple
t
e Γ
.
commit
|
commitdiff
|
tree
2019-10-05
M
arek Ne
č
a
da
Min
o
r st
u
ff
.
commit
|
commitdiff
|
tree
2019-10-02
Mare
k
Nečada
Expose
l
ow-lev
e
l
sca
l
ar Ewald
su
m
s via cython
.
commit
|
commitdiff
|
tree
2019-10-02
Marek N
e
č
ada
e
w
a
l
d
.
h
c
leanup
commit
|
commitdiff
|
tree
2019-10-02
M
a
rek Nečada
Fix mems
e
t size in Mie T-matrix ge
n
erator
.
commit
|
commitdiff
|
tree
2019-10-01
Marek Nečad
a
Be
y
n inte
g
ra
t
ion
contours to pxd
commit
|
commitdiff
|
tree
2019-10-01
Marek
Nečada
F
ree unfinished
P
Gens from Ewald s
u
m
s
.
commit
|
commitdiff
|
tree
2019-09-30
Marek Nečad
a
Experimental speed
u
p by
e
arlier cutoff for Ew
a
ld summation
.
commit
|
commitdiff
|
tree
2019-09-30
M
a
r
e
k Nečada
Kidney
c
ontour
b
as
i
c test
commit
|
commitdiff
|
tree
2019-09-30
M
arek Nečada
Test
a
nd fi
x
t
h
e rounde
d
hal
f
-ellipse conto
u
r
.
.
commit
|
commitdiff
|
tree
2019-09-29
M
a
rek
Ne
č
a
d
a
WI
P
Alt
e
rn
a
ti
v
e integration cont
o
u
r
(unte
s
ted
)
commit
|
commitdiff
|
tree
2019-09-26
M
arek N
e
ča
d
a
WIP
t
rying to fix the half-elli
p
se c
o
ntou
r
.
commit
|
commitdiff
|
tree
2019-09-26
Marek N
e
čada
Fix derivatives in in
t
egration contours
.
commit
|
commitdiff
|
tree
2019-09-26
Marek Nečada
"Half-ellips
e
" integrat
i
on contou
r
.
commit
|
commitdiff
|
tree
2019-09-23
Marek Nečada
Ewald transl
a
t
i
o
n
calculator func
t
ion us
i
ng
b
ase specs
.
commit
|
commitdiff
|
tree
2019-09-17
Mare
k
Nečada
E
xperiments with Beyn's algorithm and singularities
.
commit
|
commitdiff
|
tree
2019-09-17
Mare
k
Nečada
Additional test to Bey
n
solver (Exa
m
ple 4
.
9)
.
commit
|
commitdiff
|
tree
2019-09-17
Marek Nečada
Beyn
:
function
a
lit
y
for testi
n
g if points are
i
nside
.
.
.
commit
|
commitdiff
|
tree
2019-09-17
Marek Ne
č
ada
Some comments to b
e
y
n
.
c
commit
|
commitdiff
|
tree
2019-09-16
Ma
r
ek Neča
d
a
Han
d
le k-
>
0
i
n
Ewal
d
sum
.
commit
|
commitdiff
|
tree
2019-09-16
Marek N
e
č
a
da
Beyn: keep singula
r
values from rank
t
e
st
commit
|
commitdiff
|
tree
2019-09-13
Marek Ne
č
a
d
a
Fix infinite loop in emp
t
y
l
a
ttice mo
d
es ge
n
e
ration
commit
|
commitdiff
|
tree
2019-09-13
Marek
Nečada
B
ug f
i
x
e
s
mostly in la
t
t
i
ce
generators
.
commit
|
commitdiff
|
tree
2019-09-13
Marek Neč
a
da
2d empty lattice modes pxd; f
i
x
a corner case
.
commit
|
commitdiff
|
tree
2019-09-13
M
a
rek
N
ečada
Mode fr
e
quency calcul
a
t
i
ons for empty lattic
e
s
.
commit
|
commitdiff
|
tree
2019-09-10
Marek Ne
č
a
da
Beyn minor fixes, clean
e
r AP
I
.
commit
|
commitdiff
|
tree
2019-09-10
Ma
r
ek Nečada
Public beyn
_
re
s
ult_gsl_t
-> beyn_
r
esu
l
t_gs
l
_
t
convertor
.
commit
|
commitdiff
|
tree
2019-09-09
Ma
r
ek
N
eča
d
a
cdefs for b
e
y
n
.
h
commit
|
commitdiff
|
tree
2019-09-07
M
a
r
ek Nečada
Some 3D lattice functionality
,
lit
t
le
refactoring
.
commit
|
commitdiff
|
tree
2019-09-02
Mar
e
k Nečada
In
c
remental clea
n
up
.
commit
|
commitdiff
|
tree
2019-09-02
Marek Neča
d
a
Incre
m
ental cl
e
an
u
p and styl
e
assimilation
commit
|
commitdiff
|
tree
2019-09-02
Marek Neč
a
da
QPMS_
U
N
L
IKELY
m
acr
o
s
to qpms_error
.
h
commit
|
commitdiff
|
tree
2019-09-02
M
arek
N
e
čada
Implement an
API for Beyn's algorithm with standard
.
.
.
commit
|
commitdiff
|
tree
2019-09-02
Marek
N
eč
a
d
a
Beyn pure C api heade
r
s
commit
|
commitdiff
|
tree
2019-08-31
Marek
N
eč
a
da
Be
y
n s
o
lver new API
commit
|
commitdiff
|
tree
2019-08-28
Mar
e
k N
e
č
a
da
WIP rew
r
i
ting Beyn API
commit
|
commitdiff
|
tree
2019-08-27
Marek
N
eča
d
a
Reinde
n
d
,
add also the 'co
a
r
se values' calcula
t
ion
commit
|
commitdiff
|
tree
2019-08-27
M
arek Nečada
Finally reproduce
R
eid's implementati
o
n
.
commit
|
commitdiff
|
tree
2019-08-27
Marek N
e
čada
F
i
x
t
e
s
t ma
t
rix
def
i
nition
commit
|
commitdiff
|
tree
2019-08-25
M
arek Nečada
Variable Lovász cond
i
t
ion
parameter
commit
|
commitdiff
|
tree
2019-08-25
Marek
N
e
č
a
da
Force doubles in the LLL
-
reduced array in
numpy
.
commit
|
commitdiff
|
tree
2019-08-25
Marek
Nečada
Lens
t
ra-Le
n
stra-Lovás
z
lattic
e
basis reducti
o
n
.
commit
|
commitdiff
|
tree
2019-08-23
Marek Nečada
Add some e
x
cessive check
s
fo
r
matrix inversion
r
e
sults
commit
|
commitdiff
|
tree
2019-08-23
Marek
N
eča
d
a
Try to reproduce Rei
d
'
s
RN
G
commit
|
commitdiff
|
tree
2019-08-23
Marek Nečada
Probably wr
o
ng targe
t
t
o
zgetrs
commit
|
commitdiff
|
tree
2019-08-23
Marek N
e
č
a
da
Beyn fix memory l
e
aks a
n
d swap
p
ed argume
n
t
s in zgee
v
.
commit
|
commitdiff
|
tree
2019-08-23
M
a
re
k
Nečada
tbeyn does not c
r
ash anymo
r
e b
u
t
t
he result
i
s wrong
commit
|
commitdiff
|
tree
2019-08-23
Marek N
e
čada
Merge branch
'
m
aster' into beyn_wit
h
out_un
i
t
c
ell
commit
|
commitdiff
|
tree
2019-08-23
Marek
Ne
č
a
d
a
P
rint the arg
u
men
t
return value in
Q
PM
S
_ENSURE_SU
C
CESS
.
commit
|
commitdiff
|
tree
2019-08-23
M
a
rek Ne
č
ada
Beyn's me
t
hod te
s
t (fails)
commit
|
commitdiff
|
tree
2019-08-23
Marek
N
e
čada
qpms_error
.
h remove
i
mplicit dep
e
n
den
c
y on
s
t
dbool
.
h
commit
|
commitdiff
|
tree
2019-08-23
Marek Nečada
Be
y
n ready for testi
n
g
commit
|
commitdiff
|
tree
2019-08-22
Marek
N
e
č
ada
WIP D
e
aling
w
i
th the Beyn clusterf
u
c
k (compiles now)
.
commit
|
commitdiff
|
tree
2019-08-21
Ma
r
ek N
e
čada
WIP real->complex cleanup in beyn algorithm
.
commit
|
commitdiff
|
tree
2019-08-21
Kris
t
i
an Arjas
Add Beyn eigenmode s
o
lver
commit
|
commitdiff
|
tree
2019-08-21
M
arek Nečad
a
Fix test for
k != 0
commit
|
commitdiff
|
tree
2019-08-21
M
a
rek Nečada
M
ore
s
calar Ewald tests
(so
m
e pass!)
commit
|
commitdiff
|
tree
2019-08-20
Marek Nečada
F
i
x incomplete gamma via
c
ont
i
nued fractions for
c
omplex z
.
commit
|
commitdiff
|
tree
2019-08-20
Ma
r
e
k N
e
čada
Expose my
incomplete
g
amma function i
n
P
ython
.
commit
|
commitdiff
|
tree
2019-08-20
Marek Nečada
Briefer test
out
p
ut
commit
|
commitdiff
|
tree
2019-08-19
Ma
r
ek Neča
d
a
Conti
n
uos fr
a
c
tions for
incomplete g
a
mma,
e
xtending
.
.
.
commit
|
commitdiff
|
tree
2019-08-19
Marek
Nečada
C
omp
l
e
x wave
n
umbe
r
for ewald sum
(fai
l
ing)
+
u
nit
.
.
.
commit
|
commitdiff
|
tree
2019-08-19
Mar
e
k Nečada
Some d
o
xygen t
o
ewald
.
h
commit
|
commitdiff
|
tree
2019-08-19
Marek
Neča
d
a
ewald transla
t
ions lega
c
y cod
e
removal
commit
|
commitdiff
|
tree
2019-08-19
M
a
r
e
k Nečada
Merge
b
ran
c
h 'master' i
n
to translation
s
_cleanup
commit
|
commitdiff
|
tree
2019-08-19
Ma
r
ek Nečada
Fix
s
in
g
l
e
t
ranslati
o
n
c
o
effi
c
i
e
nts
.
commit
|
commitdiff
|
tree
2019-08-19
Mar
e
k Nečada
trans
l
a
tions
.
c return ac
c
idental
l
y deleted
f
unction,
commit
|
commitdiff
|
tree
2019-08-19
Mare
k
Nečada
translations legacy code removal
commit
|
commitdiff
|
tree
2019-08-17
Marek Nečada
S
t
a
rt m
o
difying the tes
t
s structure
.
commit
|
commitdiff
|
tree
2019-08-17
M
arek
Nečada
Ewald
.
h
d
oxygen
commit
|
commitdiff
|
tree
2019-08-17
Marek Nečada
Br
a
nch hints in
f
r
e
quently used inlin
e
s
commit
|
commitdiff
|
tree
2019-08-16
Marek Nečada
Addi
t
ional notes for ax
i
ally symme
t
ric particle
s
commit
|
commitdiff
|
tree
2019-08-16
Marek Nečada
C
ompil
e
r
warni
n
gs, do
x
ygen fixes
commit
|
commitdiff
|
tree
2019-08-16
Marek Nečada
Fix
t
he integrand for axially symmet
r
ic T-matri
c
es
.
commit
|
commitdiff
|
tree
2019-08-15
M
a
rek Nečada
VSWF
N
o
r
m IntFlag / In
t
Enum fa
l
l
back
commit
|
commitdiff
|
tree
2019-08-15
Marek Nečada
Conven
i
ence methods
in cym
a
terials
commit
|
commitdiff
|
tree
2019-08-14
M
a
re
k
Nečad
a
Expose single vswf functions to cython
.
commit
|
commitdiff
|
tree
2019-08-13
M
arek
N
ečada
Cython bi
n
dings fo
r
"p
i
, t
a
u" func
t
ions
commit
|
commitdiff
|
tree
2019-08-13
Ma
r
ek Nečad
a
Te
s
t whet
h
e
r sing
l
e vswf a
n
d vswf arr
a
y give the same
.
.
.
commit
|
commitdiff
|
tree
2019-08-13
M
a
rek N
e
č
ada
Functions to
c
alculate th
e
R,Q matrices for axial
l
y
.
.
.
commit
|
commitdiff
|
tree
2019-08-13
Marek Nečada
Fix wo
r
d in
doxygen
.
commit
|
commitdiff
|
tree
2019-08-12
Marek Nečada
B
uild libqpms as
s
hare
d
libr
a
ry
.
commit
|
commitdiff
|
tree
2019-08-12
Marek Neča
d
a
WIP T-matrix
g
e
nerators debug
g
ing
commit
|
commitdiff
|
tree
2019-08-12
Marek Nečada
Construct
o
rs for (som
e
)
T-ma
t
ri
x
generator
t
y
p
es
commit
|
commitdiff
|
tree
2019-08-11
Mar
e
k Nečada
WIP cython wrap
p
e
rs for T-matrix
generators
commit
|
commitdiff
|
tree
next