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Kinda reasonable form of 1D in 3D Ewald.
2020-06-21
Mare
k
Nečada
Ki
n
da rea
s
onabl
e
form of 1
D
i
n
3D Ewald
.
commit
|
commitdiff
|
tree
2020-06-15
Marek Nečada
Ewal
d
1D in 3D
:
jd
u
spát
commit
|
commitdiff
|
tree
2020-06-15
Marek Nečada
WIP Ewa
l
d 1D in 3D notes: partial in
d
ex fix et
c
.
commit
|
commitdiff
|
tree
2020-06-14
Marek Nečad
a
WIP Ewald 1
D
in 3D
commit
|
commitdiff
|
tree
2020-06-12
Mare
k
Nečada
Ewald 1D in 3D not
e
s
commit
|
commitdiff
|
tree
2020-06-12
Marek Nečada
Notes on τ vs
.
σ
commit
|
commitdiff
|
tree
2020-06-11
M
a
rek N
e
čada
Notes: p
e
riodic Greens fun
c
tion
s
vs
S
WF lattice sums
commit
|
commitdiff
|
tree
2020-06-07
Marek Nečad
a
WIP examples
commit
|
commitdiff
|
tree
2020-06-06
Marek Nečada
WIP hexarray mode
s
example
commit
|
commitdiff
|
tree
2020-06-04
Marek Nečada
Notes
commit
|
commitdiff
|
tree
2020-06-01
Marek Nečad
a
Don
'
t pass XYONLY flag
when
it's not XYONLY
commit
|
commitdiff
|
tree
2020-05-31
Mar
e
k Nečada
Evaluate
scatte
r
ed electric f
i
elds
in 2d-periodic system
.
commit
|
commitdiff
|
tree
2020-05-31
M
a
rek Neča
d
a
PGen_sh
i
fted
sh
i
fted point metagene
r
a
tor
commit
|
commitdiff
|
tree
2020-05-30
Marek Nečada
Constant factor
s
in general (off-plane
)
Ewald 2D-i
n
.
.
.
commit
|
commitdiff
|
tree
2020-05-29
Marek Neč
a
da
WIP Ewald 2D in 3
D
g
e
ne
r
al z != 0 constant factors
.
commit
|
commitdiff
|
tree
2020-05-28
M
arek Ne
č
ada
Branch select
i
o
n
for Δ_
n
in Ewal
d
sum
commit
|
commitdiff
|
tree
2020-05-27
M
a
rek Neča
d
a
I
mplem
e
ntati
o
n of the Δ_n factor
a
s
a seri
e
s; error
.
.
.
commit
|
commitdiff
|
tree
2020-05-26
Marek
Nečada
Fix signs
i
n
the lattic
e
s
u
m Del
t
a
(recurrent formul
a
)
commit
|
commitdiff
|
tree
2020-05-26
Marek Nečada
Note
s
o
n
eva
l
uati
n
g Δ
_
n
factor
i
n the latti
c
e sums
.
commit
|
commitdiff
|
tree
2020-05-22
Marek N
e
č
a
d
a
Wrappers fo
r
testing z
!
= 0 lat
t
ice
sum related special
.
.
.
commit
|
commitdiff
|
tree
2020-05-19
Ma
r
ek
N
e
čada
WIP 2D-i
n
-3D Ewald s
u
m
f
or z != 0
commit
|
commitdiff
|
tree
2020-05-19
M
ar
e
k N
e
čada
long double
l
iter
a
ls i
n
s
t
ea
d
of do
u
b
le
s
commit
|
commitdiff
|
tree
2020-05-19
Marek N
e
čada
CMake
L
ists for Faddeeva
commit
|
commitdiff
|
tree
2020-05-14
Steve
n
G
.
Johnson
Фаддеева'
s
functio
n
s
commit
|
commitdiff
|
tree
2020-05-04
Marek Nečada
Slic
e
d arr
a
y driv
i
ng i
n
finiterec
t
lat-constan
t
-driv
i
ng
.
py
commit
|
commitdiff
|
tree
2020-05-03
Mare
k
Nečada
"
s
lice" argument type in argproc
.
py
commit
|
commitdiff
|
tree
2020-04-28
M
a
r
e
k N
e
čad
a
Fi
x
reciprocal
basis (t
r
a
n
sp
o
sition) in argpr
o
c
.
py
commit
|
commitdiff
|
tree
2020-04-28
Marek
Neč
a
da
Pl
o
t em
p
ty lattice mod
e
s in lat2d_realfreq
s
vd
.
p
y
commit
|
commitdiff
|
tree
2020-04-27
M
a
r
ek Nečada
Hex e
x
ample fix K po
i
nt posi
t
ion; a
d
d real fre
q
SV
D
commit
|
commitdiff
|
tree
2020-04-26
M
a
rek
N
ečada
A
d
ju
s
t eta
for each (omeg
a
,
k
) pair to prevent hi-f
r
e
q
.
.
.
commit
|
commitdiff
|
tree
2020-04-26
Marek Nečad
a
Move
MIN,MAX,SQ
m
a
c
ros
to a co
m
mon header
commit
|
commitdiff
|
tree
2020-04-22
Marek Ne
č
a
d
a
Separate Ewald pa
r
a
meter fo
r
differe
n
t frequencie
s
commit
|
commitdiff
|
tree
2020-04-21
Marek Nečada
Expose Ew
a
ld parameter t
o
Python
commit
|
commitdiff
|
tree
2020-04-21
Mar
e
k
N
e
č
a
da
SV
D
interval f
o
r general 2D lattice
commit
|
commitdiff
|
tree
2020-04-20
Marek
Nečada
Scatte
r
ingSy
s
tem:
d
ocs
t
rings, a
v
oid crash on under
f
low
commit
|
commitdiff
|
tree
2020-04-13
Marek Neča
d
a
More genera
l
sc
r
ipt for
2
D
l
at
t
ic
e
modes
.
commit
|
commitdiff
|
tree
2020-04-12
Marek Nečada
Fix invalid
p
ointer in pair
w
i
se translation matrix
.
commit
|
commitdiff
|
tree
2020-04-12
Ma
r
ek Nečada
WIP argproc
m
ultipar
t
icle; update m
i
sc scr
i
pts
commit
|
commitdiff
|
tree
2020-04-11
Marek
N
ečada
F
ix
eigenval
u
e
matrix di
m
ensions in B
e
yn
.
commit
|
commitdiff
|
tree
2020-04-11
Marek Nečada
Fix
s
yntax err
o
r which gcc tolerat
e
d
commit
|
commitdiff
|
tree
2020-04-11
Marek Nečada
Dum
m
y CPU
number hack
f
o
r sy
s
tems wi
t
hou
t
t
he sys
c
on
f
.
.
.
commit
|
commitdiff
|
tree
2020-04-10
M
ar
e
k Nečada
M
o
r
e
multiplatform build of camos
commit
|
commitdiff
|
tree
2020-04-10
Marek
N
ečada
Quit Fortran
d
ependencies,
usi
n
g own f2c'd version
.
.
.
commit
|
commitdiff
|
tree
2020-04-07
Marek Nečada
BaseS
p
ec __eq__()
and
__hash__
(
)
commit
|
commitdiff
|
tree
2020-04-05
Marek Neča
d
a
Infini
t
e rect
l
att
i
c
e
s sc
r
ipt multiple freqs etc
.
commit
|
commitdiff
|
tree
2020-04-04
Marek Nečada
More cdefs from
v
ectors
.
h
commit
|
commitdiff
|
tree
2020-04-04
Marek
N
ečada
Fix cri
t
ical
bug in q
p
ms_vecspharm_fi
l
l
()
commit
|
commitdiff
|
tree
2020-04-03
Marek Nečada
S
o
me
little
docstrin
g
s
.
commit
|
commitdiff
|
tree
2020-04-02
Marek Nečada
A
rgpro
c
: wav
e
s
wit
h
polarisati
o
n; update finiterectla
t
.
.
.
commit
|
commitdiff
|
tree
2020-03-29
Ma
r
ek Nečada
Fix a
x
e
s i
n
fini
t
er
e
ctlat-cons
t
ant
-
drivin
g
.
py
p
lots
commit
|
commitdiff
|
tree
2020-03-27
M
arek
N
eča
d
a
Make infinite rect lat
.
/ real
f
r
e
q
.
SVD work with
.
.
.
commit
|
commitdiff
|
tree
2020-03-27
Mar
e
k Nečada
Recta
n
gular lattice
S
VD
c
u
t at gamma
p
o
int, real frequ
e
ncy
commit
|
commitdiff
|
tree
2020-03-26
Marek
Nečada
finiterect
l
a
t-constan
t
-driving:
display real x, y dipoles
commit
|
commitdiff
|
tree
2020-03-26
Marek Nečada
Various fixes to finiterectlat-co
n
stant-driving
.
py
commit
|
commitdiff
|
tree
2020-03-26
Mare
k
N
ečada
F
i
nite rect l
a
t cons
t
ant driving far field
"ccd"
commit
|
commitdiff
|
tree
2020-03-26
Mar
e
k Nečada
Avoid us
i
ng Stea
d
met
h
o
d from
G
SL
a
bove
c
ertai
n
t
h
re
s
hol
d
.
commit
|
commitdiff
|
tree
2020-03-26
Marek Nečada
C
l
eanup: eliminate bare abort
(
)s
commit
|
commitdiff
|
tree
2020-03-23
Ma
r
ek Nečada
Do
x
ygenise
q
pms_e
r
ror
.
h
commit
|
commitdiff
|
tree
2020-03-23
Mar
e
k Nečada
Finer
error handling
.
commit
|
commitdiff
|
tree
2020-03-23
Marek
N
eča
d
a
Re
p
l
a
ce
a
b
ort() cal
l
s wit
h
custom mac
r
os i
n
vswf
.
c
commit
|
commitdiff
|
tree
2020-03-23
Mare
k
Nečada
A
l
low different Bessel kind in
scatte
r
ed_E
commit
|
commitdiff
|
tree
2020-03-21
Ma
r
ek Nečada
Update test prog
r
ams to current API
.
commit
|
commitdiff
|
tree
2020-03-21
Marek N
e
čada
Alternative implemen
t
ation
of qpms
_
scatsys_scatte
r
ed_E()
commit
|
commitdiff
|
tree
2020-03-21
Ma
r
ek Nečada
Fix
allocated arr
a
y size
s
.
commit
|
commitdiff
|
tree
2020-03-21
Marek Nečada
Scatsystem scat
t
ered E f
i
eld methods
commit
|
commitdiff
|
tree
2020-03-18
M
a
re
k
Ne
č
ad
a
Fourier plots to fin
i
terectlat-constant-dri
v
ing
.
p
y
commit
|
commitdiff
|
tree
2020-03-18
Marek N
e
čada
Better plots for finit
e
rectlat-constant
-
driving
.
py
commit
|
commitdiff
|
tree
2020-03-18
Marek Neč
a
da
Fix Scatte
r
ingSystem
.
f
u
llvec_poffsets
commit
|
commitdiff
|
tree
2020-03-18
Marek
N
ečada
Reduce tolerances as a
w
o
rkaround f
o
r
i
np
r
ecise in
t
egr
a
tion
.
commit
|
commitdiff
|
tree
2020-03-18
Marek Neča
d
a
"
C
on
s
t
a
nt per-particle d
r
iving" si
m
u
l
ation scri
p
t
commit
|
commitdiff
|
tree
2020-03-13
M
a
rek Nečada
Minor addition
s
to docs
.
commit
|
commitdiff
|
tree
2020-03-11
M
arek Neča
d
a
Remove pre-Ewald latti
c
e sum r
e
lated "split-Bessel
.
.
.
commit
|
commitdiff
|
tree
2020-03-10
Marek
Nečada
Fix cyt
h
o
n
declarations
.
commit
|
commitdiff
|
tree
2020-03-09
Marek Neč
a
da
x
y
-periodic lattice Beyn algorithm suppor
t
i
n ScatteringSyst
e
m
commit
|
commitdiff
|
tree
2020-03-06
Marek Nečada
xy-p
e
ri
o
dic latt
i
c
e
scatt
e
ring support
i
n Sc
a
tteringS
y
s
t
em
commit
|
commitdiff
|
tree
2020-02-28
Ma
r
e
k
Nečada
WIP cyt
h
on support for periodic latti
c
es
commit
|
commitdiff
|
tree
2020-02-28
Marek Nečada
Scrap the ss->per
flexible
a
rray
t
hing to av
o
i
d
e
xc
e
ssi
v
e
.
.
.
commit
|
commitdiff
|
tree
2020-02-28
Marek Nečad
a
Beyn wrap
p
e
r
s
f
or per
i
odic sys
t
em
.
commit
|
commitdiff
|
tree
2020-02-28
Mare
k
Nečada
scat
s
ys
t
em:
mode
p
ro
b
le
m
matrix f
o
r
x
y-plane peri
o
d
i
c
.
.
.
commit
|
commitdiff
|
tree
2020-02-27
Marek
Nečada
WI
P
2D in 3D -
p
e
ri
o
dic
s
c
a
tsystem
commit
|
commitdiff
|
tree
2020-02-25
Marek Nečada
Gener
a
l heap
-
b
a
sed lattice point generator
c
ompil
e
s
.
.
.
commit
|
commitdiff
|
tree
2020-02-25
Marek Nečada
WIP
Bi
n
ary-
h
eap bas
e
d arbi
t
rary-dimensional lattice
.
.
.
commit
|
commitdiff
|
tree
2020-02-14
Marek Neč
a
da
Exper
i
mental support
f
or periodic latt
i
c
es in
scatsys
.
.
.
commit
|
commitdiff
|
tree
2020-02-14
Ma
r
e
k
Nečada
Mo
v
e perio
d
ic latti
c
e-related stuff into a separat
e
.
.
.
commit
|
commitdiff
|
tree
2020-02-13
Ma
r
ek
N
ečada
New
m
embe
r
s to
q
pms_scatsys_t for periodi
c
la
t
tices
.
commit
|
commitdiff
|
tree
2020-02-13
Marek
N
ečada
s
u
p
port for TMatrixInterpola
t
o
r
i
n TMatri
x
Ge
n
erator
commit
|
commitdiff
|
tree
2020-02-04
Marek Nečada
I
rrep-
d
e
c
omposed
s
c
a
t
sys b
e
yn; fix missin
g
F
in
i
tePoint
G
roup
.
.
.
commit
|
commitdiff
|
tree
2020-02-04
M
a
rek
Nečad
a
Beyn algorithm cython wrapper (finite systems)
commit
|
commitdiff
|
tree
2020-02-04
Marek Nečada
Beyn wr
a
pper
s
fo
r
finite syst
e
m
, doxyg
e
n
commit
|
commitdiff
|
tree
2020-02-04
Marek Nečada
Beyn algo
r
it
h
m "cherry-pick" from 'newb
e
yn_unitce
l
l'
commit
|
commitdiff
|
tree
2020-02-04
Marek
N
ečada
Fix
finiterec
t
lat-modes
.
py ob
v
ious errors
.
commit
|
commitdiff
|
tree
2020-02-04
Marek
Nečad
a
Simple finite řectang
u
la
r
latt
i
ce mode
searc
h
script
commit
|
commitdiff
|
tree
2020-02-04
M
a
r
ek Nečada
Avoid
t
m
ge
n
multiplicities (->slowdown) in Scatteri
n
gSys
t
em
.
.
.
commit
|
commitdiff
|
tree
2020-02-04
Marek Nečad
a
R
e
move b
u
ild type
hardco
d
e spec
.
commit
|
commitdiff
|
tree
2020-02-04
Marek Nečada
F
i
x
m
e
mory le
a
k
s
; u
s
e error macros
commit
|
commitdiff
|
tree
2020-01-23
M
arek Ne
č
a
da
E
xtract and inline tr
a
nslation m
a
t
ri
x
reo
r
dering proce
d
ure
.
commit
|
commitdiff
|
tree
2020-01-23
Marek Nečada
Minor translations refactoring
.
commit
|
commitdiff
|
tree
2020-01-21
Marek Nečad
a
Merge
b
ranch 'abstrac
t
_
s
catsystem'
commit
|
commitdiff
|
tree
2020-01-21
Mar
e
k Nečada
Fix a
n
other st
u
p
i
d
bugs
commit
|
commitdiff
|
tree
2020-01-20
Ma
r
ek Ne
č
ada
Fi
x
k-argument rel
a
ted bugs e
t
c
.
commit
|
commitdiff
|
tree
next