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Fix duplicate warning
2017-09-04
Tee
m
u Murtola
Introduce self-pairs se
a
rch in
n
b
search
commit
|
commitdiff
|
tree
2017-09-04
Teemu Mur
t
ol
a
Re
f
actor
anal
y
sis
n
bsearch
t
ests
commit
|
commitdiff
|
tree
2017-08-21
Te
e
mu Murtola
Simple unio
n
-
f
i
nd s
t
ructure
commit
|
commitdiff
|
tree
2017-07-19
Teemu Murtola
Prune unnecessary c
e
lls in
analysis nbsear
c
h
commit
|
commitdiff
|
tree
2017-07-17
Teemu Murto
l
a
F
i
x
h
wloc
d
etection
commit
|
commitdiff
|
tree
2017-07-11
Teemu Murtola
S
u
pport scope
d
key
-
value tree t
r
an
s
f
o
rm rules
commit
|
commitdiff
|
tree
2017-07-06
Tee
m
u Murt
o
la
Detect unknown mdp option
s
i
n
gmx
dump
/
c
h
e
c
k
commit
|
commitdiff
|
tree
2017-06-30
Te
e
mu Murto
l
a
F
ix bo
o
lean seria
l
i
zation
commit
|
commitdiff
|
tree
2017-06-30
Te
e
mu
Murtola
Extend k
e
y
-
value tree compariso
n
and tes
t
s
commit
|
commitdiff
|
tree
2017-06-29
Tee
m
u
Murtola
Generalize IForceProvider
commit
|
commitdiff
|
tree
2017-06-28
Te
e
mu Murtola
Extend k
e
y
-
v
a
lue
t
r
e
e ser
i
a
l
iza
t
ion and tests
commit
|
commitdiff
|
tree
2017-06-27
Teemu Murt
o
la
Do n
o
t
u
s
e
c
o
nf-
m
an
.
py
f
o
r non-manpage do
c
builds
commit
|
commitdiff
|
tree
2017-05-29
Teemu Murtola
Avoid some incorrect beh
a
vi
o
r with
g
mx solvate
commit
|
commitdiff
|
tree
2017-05-29
T
e
emu Murtola
R
em
o
ve pbcutil <-> mdt
y
pes cyclic
depen
d
en
c
y
commit
|
commitdiff
|
tree
2017-05-11
Teemu Murto
l
a
Gen
e
r
alize command-line test out
p
ut file ch
e
cking
commit
|
commitdiff
|
tree
2017-04-17
T
e
emu Murto
l
a
Consis
t
ent ap
p
roac
h
for whol
e
-progra
m
tests
commit
|
commitdiff
|
tree
2017-04-11
Teemu
Mur
t
ola
Improve key-va
l
ue tree gmx dump support
commit
|
commitdiff
|
tree
2017-04-06
T
e
emu M
u
rtola
Fix memory
access
i
ssu
e
s in gmx solva
t
e
commit
|
commitdiff
|
tree
2017-04-06
Teemu Murtola
Consis
t
ent nami
n
g for g
m
xana tests
commit
|
commitdiff
|
tree
2017-04-04
Teem
u
Murtola
Ut
i
lit
y
functions for fo
r
mat
t
ing
str
i
ng valu
e
s
commit
|
commitdiff
|
tree
2017-03-13
T
e
em
u
M
u
rtola
Improve
option
sup
p
ort & tests for key-value trees
commit
|
commitdiff
|
tree
2017-03-13
Teemu Murtola
Remove manual al
i
g
n
men
t
f
rom
I
nMem
o
ryS
e
r
i
a
l
i
zer
commit
|
commitdiff
|
tree
2017-03-12
T
e
e
m
u Murtola
Con
s
iste
n
t TextWriter trailing white
s
pace ha
n
dling
commit
|
commitdiff
|
tree
2017-03-11
Teemu Murtola
U
p
d
a
te copyrig
h
t
y
e
ar f
o
r gmx -version
commit
|
commitdiff
|
tree
2017-03-04
Te
e
mu Murtola
Remove MDMo
d
ul
e
s
use from md
l
ib
commit
|
commitdiff
|
tree
2017-03-04
Teemu
M
ur
t
ola
Split md module face
t
s t
o
d
ifferent i
n
t
e
rf
a
ce
s
commit
|
commitdiff
|
tree
2017-02-28
Teemu Murtola
More documenta
t
io
n
for key
-
value trees
commit
|
commitdiff
|
tree
2017-02-27
Teemu Murtola
Decoupl
e
t_inputrec from MDModules
commit
|
commitdiff
|
tree
2017-02-27
Teemu Murtol
a
Re
m
ove module refe
r
ences from t_inputrec
commit
|
commitdiff
|
tree
2017-02-10
Teemu
Murt
o
la
Chec
k
log output in threa
d
affinity
tests
commit
|
commitdiff
|
tree
2017-02-09
T
eemu
M
urtola
Multi
-
rank t
h
r
e
ad af
f
inity tests
commit
|
commitdiff
|
tree
2017-02-09
Te
e
mu
Murtola
Docum
e
nt key-value tree
tr
a
nsforms and
improve checks
commit
|
commitdiff
|
tree
2017-02-09
Teemu Murt
o
la
Overview do
c
umenta
t
ion for n
e
w
mdp inpu
t
scheme
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
Generic
K
ey
V
a
l
u
eTr
e
e br
o
a
d
cast
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
Generic gmx
c
h
eck imp
l
em
e
ntation with Ke
y
V
a
lueTree
commit
|
commitdiff
|
tree
2017-02-08
T
eemu Murtol
a
Gen
e
ric gmx dump implementati
o
n fo
r
K
e
y
Va
l
ueTree
commit
|
commitdiff
|
tree
2017-02-08
T
e
e
m
u
M
u
rtola
Generic tpr h
a
nd
l
in
g
for el
e
ctric fi
e
l
d
commit
|
commitdiff
|
tree
2016-12-12
Teemu Murtola
M
e
rge bra
n
c
h release-2016
commit
|
commitdiff
|
tree
2016-12-10
T
eemu Murtola
Minor CMake
cleanup & mo
d
ernization
commit
|
commitdiff
|
tree
2016-12-10
T
e
emu
M
urtola
Build scri
p
ts for improved
release workfl
o
w
commit
|
commitdiff
|
tree
2016-12-08
T
eemu Murtola
Fix and clean up handli
n
g of
s
ome linking
commit
|
commitdiff
|
tree
2016-12-08
Teemu Mur
t
ola
Fix possible memory e
r
r
or with long
s
electi
o
ns
commit
|
commitdiff
|
tree
2016-12-07
Teemu Murtola
Fix use of position
vari
a
bles with plus/merge
commit
|
commitdiff
|
tree
2016-11-29
Teemu M
u
rtola
Additio
n
al
s
e
lecti
o
n help
commit
|
commitdiff
|
tree
2016-11-06
Teemu Murto
l
a
Add selecti
o
n-enabled gmx traj
commit
|
commitdiff
|
tree
2016-10-30
Teemu Murtola
Support normaliz
i
ng
values in KeyValueTre
e
commit
|
commitdiff
|
tree
2016-10-24
Tee
m
u
Murt
o
la
Elec
t
ric field
mdp pa
r
sing using
optio
n
s
commit
|
commitdiff
|
tree
2016-10-24
Teemu Mur
t
o
la
Support for default valu
e
s from Opt
i
ons to KeyV
a
lueTree
commit
|
commitdiff
|
tree
2016-10-21
Teemu Murto
l
a
Clean up opt
i
o
n
(default) value acc
e
ss
commit
|
commitdiff
|
tree
2016-10-19
Teemu Murt
o
la
S
e
rializati
o
n support fo
r
KeyV
a
lueTre
e
commit
|
commitdiff
|
tree
2016-10-17
Teemu Murtol
a
Suppo
r
t option
a
s
sig
n
ment from differe
n
t
precis
i
on
commit
|
commitdiff
|
tree
2016-10-17
T
e
em
u
M
urtola
Add supp
o
rt for rea
d
ing
value
s
from r
e
fdata
commit
|
commitdiff
|
tree
2016-10-16
Te
e
mu M
u
rto
l
a
I
mproved erro
r
handling for
KeyValueTree
o
perations
commit
|
commitdiff
|
tree
2016-10-15
T
e
emu Murt
o
l
a
I
mpro
v
ed add
r
ess sanitizer support
commit
|
commitdiff
|
tree
2016-10-15
Teemu Murtola
Work around mem
o
ry leak in t_state
commit
|
commitdiff
|
tree
2016-10-15
T
eemu
M
urt
o
la
Fix most memory lea
k
s recently intro
d
uced
commit
|
commitdiff
|
tree
2016-10-14
Teemu
M
urtola
Use gmx_mt
o
p_t in s
e
lect
i
ons, part 3
commit
|
commitdiff
|
tree
2016-10-14
T
e
emu M
u
r
t
ola
Us
e
g
mx_mtop
_
t
in selections,
part
2
commit
|
commitdiff
|
tree
2016-10-13
Teemu Mur
t
ola
Use g
m
x_mtop_t in se
l
e
c
tions, part 2
commit
|
commitdiff
|
tree
2016-10-13
Tee
m
u Murtola
A
d
d
back-mapping to Ke
y
Valu
e
Tr
e
eTransf
o
rm
commit
|
commitdiff
|
tree
2016-10-13
Teemu
Mur
t
ola
U
pdate
bundled TNG
commit
|
commitdiff
|
tree
2016-10-13
Teem
u
Murto
l
a
Getter f
o
r mapped p
a
ths fr
o
m KeyValueTreeTransform
commit
|
commitdiff
|
tree
2016-10-12
Teemu
M
urtola
U
se gmx_mtop_t i
n
selecti
o
ns, part
1
commit
|
commitdiff
|
tree
2016-10-12
Tee
m
u
M
urtola
Wrap sel
.
method ev
a
luation parameters to s
t
ruct
commit
|
commitdiff
|
tree
2016-10-11
Teemu M
u
rtola
S
u
pport c
o
ncurrent
t_topology a
n
d gmx_mtop_t use
commit
|
commitdiff
|
tree
2016-10-11
Teemu Murtola
C
heck atom mass av
a
i
la
b
ili
t
y in selections
commit
|
commitdiff
|
tree
2016-10-05
T
e
emu
Mu
r
tola
Support
d
iffer
e
nt key
matching in KeyValueTr
e
eTra
n
sform
commit
|
commitdiff
|
tree
2016-10-05
Teemu Murtola
Merge
"Merge bran
c
h release-5-
1
int
o
re
l
e
a
se-2016"
.
.
.
commit
|
commitdiff
|
tree
2016-09-24
Teemu Murto
l
a
Fix defau
l
t
n
i
c
e
level
i
n mdrun-only buil
d
commit
|
commitdiff
|
tree
2016-09-12
Teemu Murto
l
a
F
ix various
m
emor
y
leaks
commit
|
commitdiff
|
tree
2016-09-07
T
e
e
mu M
u
rtola
C
lea
n
u
p
CTest test man
a
gement
commit
|
commitdiff
|
tree
2016-08-30
Teemu Murto
l
a
Ba
s
ic support for transformi
n
g
K
eyVa
l
ueTr
e
es
commit
|
commitdiff
|
tree
2016-08-27
Te
e
m
u
Murtola
Supp
o
rt KeyValueTree obj
e
c
t
s
in
r
efdata
commit
|
commitdiff
|
tree
2016-08-18
Teemu
Murtola
Check f
o
r unused refdata values
commit
|
commitdiff
|
tree
2016-08-18
Teemu Murtola
Generi
c
struc
t
ure
d
k
e
y-
v
alue
t
ree
f
or options
commit
|
commitdiff
|
tree
2016-08-18
T
eemu Murtola
Support for
non-strin
g
opti
o
n
v
alue as
s
ignment
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtola
Ba
s
ic support for array-of-stru
c
ts i
n
options
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtola
Gen
e
ralize and si
m
p
l
i
f
y opti
o
n
v
alue st
o
rage
commit
|
commitdiff
|
tree
2016-08-17
T
e
e
m
u
M
urtola
Generali
z
e o
p
tio
n
section in
t
erna
l
s
commit
|
commitdiff
|
tree
2016-08-17
Teemu
M
ur
t
ola
Reimpleme
n
t
s
u
bsectio
n
s in Options
commit
|
commitdiff
|
tree
2016-08-04
Teemu Murtola
Fix/impr
o
ve do
c
links in template/README
commit
|
commitdiff
|
tree
2016-08-01
Teemu Murtola
F
un
c
tion to split delimi
t
e
d strings
commit
|
commitdiff
|
tree
2016-07-14
Teemu Murtola
Use newer gc
c
fo
r
coverage
commit
|
commitdiff
|
tree
2016-07-07
Teemu Mu
r
to
l
a
Change h
a
ndl
i
n
g
for missi
n
g releng do
c
s
commit
|
commitdiff
|
tree
2016-06-30
Tee
m
u
M
urtola
Ext
r
act
string p
a
r
s
ing
r
outines to utili
t
y
commit
|
commitdiff
|
tree
2016-06-28
Teemu Murt
o
la
Split up compare
.
*
commit
|
commitdiff
|
tree
2016-06-27
Teemu Murtola
Factory for
c
reating t_i
n
pu
t
rec
commit
|
commitdiff
|
tree
2016-06-01
Teemu Murtola
Use C++ replacement for md_logging
.
*
commit
|
commitdiff
|
tree
2016-06-01
Teemu Murtola
Basi
c
C++ logging
interface
commit
|
commitdiff
|
tree
2016-05-31
Teemu Murto
l
a
I
m
p
r
o
v
e make_ndx help
t
ex
t
commit
|
commitdiff
|
tree
2016-05-25
Teemu
Murtola
Support for re
a
l MPI unit tests
commit
|
commitdiff
|
tree
2016-05-24
Teemu Mur
t
ol
a
Tests for single-rank thr
e
ad
a
ff
i
nit
y
sett
i
ng
commit
|
commitdiff
|
tree
2016-05-21
Te
e
mu Murtola
Pass num
b
er of l
o
cal
threads to thread affinit
y
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murto
l
a
Al
l
ow cre
a
tin
g
mock Hardw
a
reTopolog
y
objects
commit
|
commitdiff
|
tree
2016-05-21
T
e
emu
Mu
r
tola
Us
e
only HardwareTo
p
ology for thre
a
d affinity
commit
|
commitdiff
|
tree
2016-05-21
Teemu Mu
r
tola
Merge branch
relea
s
e-2016
commit
|
commitdiff
|
tree
2016-05-21
Teemu M
u
r
t
ola
Bum
p
ve
r
sion numbers f
o
r 2017 develo
p
ment
commit
|
commitdiff
|
tree
2016-05-17
Teemu Murto
l
a
Fix some thr
e
ad
a
ffinity case
s
commit
|
commitdiff
|
tree
2016-05-10
Tee
m
u
M
urtola
Additional Jenkins d
o
cumenta
t
i
on
commit
|
commitdiff
|
tree
2016-05-10
Teemu Murtola
Inc
l
ude rele
n
g documentat
i
on to developer
gui
d
e
commit
|
commitdiff
|
tree
next