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Update instructions in containers.rst
2019-11-04
Te
e
mu Mu
r
tola
Update clang-format con
f
ig
commit
|
commitdiff
|
tree
2019-01-29
Teemu Murtola
Avoid warnin
g
s wi
t
h Apple Clang
commit
|
commitdiff
|
tree
2019-01-13
Teem
u
Mu
r
tola
Us
e
l
abel to
select doxygen
version
commit
|
commitdiff
|
tree
2018-12-24
T
eemu Mur
t
ola
Use label to select do
x
ygen version
commit
|
commitdiff
|
tree
2017-09-04
Te
e
m
u
Murtola
Intr
o
duce self-pa
i
r
s
se
a
rch in
n
bsearch
commit
|
commitdiff
|
tree
2017-09-04
Tee
m
u Murtola
Refactor analysis nbsea
r
c
h
test
s
commit
|
commitdiff
|
tree
2017-08-21
Teemu M
u
rtola
Simple union-find
structure
commit
|
commitdiff
|
tree
2017-07-19
Teemu Murtola
Prune unnecessa
r
y cells in ana
l
ysis
n
bse
a
rch
commit
|
commitdiff
|
tree
2017-07-17
T
eemu Mu
r
tola
F
i
x
hwloc det
e
ction
commit
|
commitdiff
|
tree
2017-07-11
Teem
u
Murtola
Support
scoped key-value tr
e
e transform ru
l
es
commit
|
commitdiff
|
tree
2017-07-06
Teemu
M
urt
o
la
Detect unknown mdp options in gmx du
m
p/check
commit
|
commitdiff
|
tree
2017-06-30
Te
e
mu Murtola
Fix boolean serializa
t
ion
commit
|
commitdiff
|
tree
2017-06-30
Teemu Murt
o
la
Extend key-value tree c
o
mparison and tests
commit
|
commitdiff
|
tree
2017-06-29
Teemu Murtola
Genera
l
iz
e
IFor
c
e
P
rovider
commit
|
commitdiff
|
tree
2017-06-28
Teemu Murt
o
la
E
x
te
n
d key
-
value
tree s
e
r
iali
z
ation
a
nd te
s
ts
commit
|
commitdiff
|
tree
2017-06-27
Teemu Murtola
Do not
use
c
on
f
-man
.
p
y
f
o
r non-manpage doc build
s
commit
|
commitdiff
|
tree
2017-05-29
Teemu
Murtola
Avoid some incorrect behavior with gmx
solvate
commit
|
commitdiff
|
tree
2017-05-29
Teemu Murto
l
a
Remove p
b
cutil <-> md
t
ypes cyclic dependency
commit
|
commitdiff
|
tree
2017-05-11
Te
e
mu Murtola
Generalize command-l
i
ne test o
u
tput fil
e
checki
n
g
commit
|
commitdiff
|
tree
2017-04-17
Teemu Mu
r
tola
Consistent approach for whole-program tests
commit
|
commitdiff
|
tree
2017-04-11
Teemu Murtola
Im
p
r
o
v
e
key-value t
r
ee gmx
d
ump support
commit
|
commitdiff
|
tree
2017-04-06
T
eemu
M
urto
l
a
F
ix memory access issues in gmx solvate
commit
|
commitdiff
|
tree
2017-04-06
Teem
u
M
u
r
tola
Cons
i
stent na
m
ing for
g
mxana test
s
commit
|
commitdiff
|
tree
2017-04-04
T
eem
u
Mur
t
ola
Util
i
ty functions for formatt
i
ng str
i
ng values
commit
|
commitdiff
|
tree
2017-03-13
T
e
emu Mur
t
ola
Improv
e
o
p
t
i
o
n
support & t
e
sts for key-value trees
commit
|
commitdiff
|
tree
2017-03-13
Teemu Murtola
Remove manual ali
g
nme
n
t
f
ro
m
InM
e
morySeriali
z
e
r
commit
|
commitdiff
|
tree
2017-03-12
Teemu
Murtola
Consistent Te
x
tWrite
r
tra
i
l
ing whitespa
c
e
h
a
ndling
commit
|
commitdiff
|
tree
2017-03-11
Tee
m
u
M
urtola
U
pda
t
e
copyright y
e
ar f
o
r gmx -v
e
rsion
commit
|
commitdiff
|
tree
2017-03-04
Teemu Murto
l
a
Remove
M
DModules
use
from
md
l
ib
commit
|
commitdiff
|
tree
2017-03-04
Te
e
mu Murtola
Split md module facet
s
to different int
e
r
faces
commit
|
commitdiff
|
tree
2017-02-28
Teemu Murto
l
a
More documentation for key-value
t
r
e
es
commit
|
commitdiff
|
tree
2017-02-27
Teemu M
u
r
t
ola
De
c
ouple t_inputrec from
M
DModules
commit
|
commitdiff
|
tree
2017-02-27
Teemu M
u
rtola
R
e
move
m
odu
l
e ref
e
re
n
ces from t_inpu
t
rec
commit
|
commitdiff
|
tree
2017-02-10
T
e
emu Murtola
Check log output
in
t
hread affinity
t
ests
commit
|
commitdiff
|
tree
2017-02-09
Teemu Mu
r
tola
Mul
t
i-rank thread affinity
t
ests
commit
|
commitdiff
|
tree
2017-02-09
Teemu Murtola
Document ke
y
-valu
e
tree transf
o
rms and
i
mpr
o
ve checks
commit
|
commitdiff
|
tree
2017-02-09
Te
e
m
u
Mur
t
o
l
a
O
v
erview
do
c
u
mentation
f
or new mdp input
scheme
commit
|
commitdiff
|
tree
2017-02-08
Teemu Mu
r
t
o
la
Gen
e
ric KeyValueTree broadca
s
t
commit
|
commitdiff
|
tree
2017-02-08
Teemu Mu
r
tola
Generic gmx check implementation wi
t
h
Key
V
alueTree
commit
|
commitdiff
|
tree
2017-02-08
Tee
m
u Murt
o
la
G
e
neric gmx dump i
m
plem
e
ntatio
n
for Ke
y
ValueTree
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
Generic
t
pr handli
n
g
f
o
r
e
lectric fi
e
ld
commit
|
commitdiff
|
tree
2016-12-12
Teemu Murtola
Merge bran
c
h release
-
2016
commit
|
commitdiff
|
tree
2016-12-10
Teemu
Murt
o
la
Minor CMake cleanup
& modernizati
o
n
commit
|
commitdiff
|
tree
2016-12-10
Tee
m
u Mu
r
tola
Bui
l
d
sc
r
ipts for improved release workflow
commit
|
commitdiff
|
tree
2016-12-08
T
eemu
M
u
r
tola
Fix and c
l
ean up handli
n
g of some linking
commit
|
commitdiff
|
tree
2016-12-08
Teemu Mu
r
t
o
la
Fix
possi
b
le memory
e
rro
r
wit
h
long
s
ele
c
tio
n
s
commit
|
commitdiff
|
tree
2016-12-07
T
e
emu M
u
rtola
Fix
u
se of posit
i
on vari
a
bles wit
h
plus/merge
commit
|
commitdiff
|
tree
2016-11-29
Teem
u
M
u
rtola
Additio
n
al selec
t
ion help
commit
|
commitdiff
|
tree
2016-11-06
Teemu Murtola
A
d
d
s
election-en
a
bl
e
d gmx traj
commit
|
commitdiff
|
tree
2016-10-30
T
e
emu Murtola
S
up
p
ort normalizing
v
alues in Key
V
a
lue
T
ree
commit
|
commitdiff
|
tree
2016-10-24
Teem
u
M
urtol
a
E
lectric
f
ield mdp parsing u
s
in
g
o
p
t
ions
commit
|
commitdiff
|
tree
2016-10-24
T
e
emu Murtol
a
Sup
p
ort for default value
s
f
rom
O
p
t
ions to KeyVal
u
eTree
commit
|
commitdiff
|
tree
2016-10-21
T
eemu
Murt
o
la
Cle
a
n up
o
ption (default
)
val
u
e
ac
c
ess
commit
|
commitdiff
|
tree
2016-10-19
T
e
emu Murtol
a
Serializati
o
n support
f
or Key
V
alueTree
commit
|
commitdiff
|
tree
2016-10-17
Teemu
M
urtola
S
u
ppor
t
o
p
tio
n
ass
i
gnment from d
i
f
f
erent precision
commit
|
commitdiff
|
tree
2016-10-17
Teemu Mu
r
tol
a
Add support
for readi
n
g
values from r
e
fdat
a
commit
|
commitdiff
|
tree
2016-10-16
Teemu
Murtola
Im
p
roved error handlin
g
f
o
r KeyValueTree opera
t
ions
commit
|
commitdiff
|
tree
2016-10-15
Teemu
Murtola
I
m
p
r
oved address sanitizer support
commit
|
commitdiff
|
tree
2016-10-15
Teemu
M
urtola
Work ar
o
und memo
r
y
leak in t
_
sta
t
e
commit
|
commitdiff
|
tree
2016-10-15
Teem
u
Murtola
F
ix
most memory le
a
ks r
e
cen
t
ly introduced
commit
|
commitdiff
|
tree
2016-10-14
Teemu M
u
rtola
Use gmx_mtop_
t
in s
e
lections, part 3
commit
|
commitdiff
|
tree
2016-10-14
Teem
u
Mu
r
t
ola
U
s
e gmx_
m
top_
t
in selec
t
io
n
s
,
part
2
commit
|
commitdiff
|
tree
2016-10-13
Teemu Murtola
Use gmx_mtop_t
i
n sel
e
ction
s
,
p
art 2
commit
|
commitdiff
|
tree
2016-10-13
Tee
m
u
M
u
rtola
Add bac
k
-m
a
ppi
n
g to KeyValueTreeTransform
commit
|
commitdiff
|
tree
2016-10-13
Teemu Mu
r
tola
U
p
date bundled TNG
commit
|
commitdiff
|
tree
2016-10-13
Teem
u
Murtola
Getter
f
or mapped paths from KeyValueTreeT
r
a
n
sform
commit
|
commitdiff
|
tree
2016-10-12
Teemu Murtola
Use gmx_mtop_t in se
l
ections, p
a
rt 1
commit
|
commitdiff
|
tree
2016-10-12
T
eem
u
M
u
rtola
Wrap sel
.
me
t
hod evaluation
p
a
r
ame
t
e
r
s t
o
st
r
uct
commit
|
commitdiff
|
tree
2016-10-11
Teemu Mu
r
tola
Su
p
port concu
r
rent
t
_
topolog
y
and gmx_
m
top_t
use
commit
|
commitdiff
|
tree
2016-10-11
Te
e
mu Murtola
Chec
k
atom
m
ass a
v
ailability
in selections
commit
|
commitdiff
|
tree
2016-10-05
Te
e
mu Murto
l
a
Support d
i
fferent key matching in
Key
V
alueTr
e
eTransform
commit
|
commitdiff
|
tree
2016-10-05
T
e
e
m
u M
u
rtola
Merge
"Merge
b
ranch
r
elease-5-1
in
t
o rele
a
s
e-2016"
.
.
.
commit
|
commitdiff
|
tree
2016-09-24
Teemu Murtola
Fix d
e
fault nice level in mdrun
-
only build
commit
|
commitdiff
|
tree
2016-09-12
Te
e
mu M
u
rtola
Fix vari
o
us mem
o
ry le
a
ks
commit
|
commitdiff
|
tree
2016-09-07
Teem
u
Murto
l
a
Clean up CTest t
e
st manageme
n
t
commit
|
commitdiff
|
tree
2016-08-30
Tee
m
u Murtola
Basic suppo
r
t for transfor
m
i
ng KeyV
a
lueTrees
commit
|
commitdiff
|
tree
2016-08-27
Teemu
M
u
rtola
Support KeyValueTree objects in
refdata
commit
|
commitdiff
|
tree
2016-08-18
Teemu Murtol
a
Check
for unused r
e
fdata values
commit
|
commitdiff
|
tree
2016-08-18
Teemu M
u
rtola
Generic structured ke
y
-value tr
e
e
f
or options
commit
|
commitdiff
|
tree
2016-08-18
Teem
u
Murt
o
la
Support for
non
-
string option value assignment
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtola
Basic support fo
r
array-of-s
t
ru
c
ts in options
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtola
G
eneralize
and
s
implify option
v
al
u
e s
t
orage
commit
|
commitdiff
|
tree
2016-08-17
Te
e
mu
M
u
rtola
G
eneral
i
ze optio
n
section
i
nternals
commit
|
commitdiff
|
tree
2016-08-17
Te
e
mu Murtola
Reimple
m
ent subsections in Optio
n
s
commit
|
commitdiff
|
tree
2016-08-04
Teemu M
u
rtola
F
ix/i
m
prove
d
oc lin
k
s
in te
m
plate/README
commit
|
commitdiff
|
tree
2016-08-01
Teemu Murtol
a
Function to split delimited strings
commit
|
commitdiff
|
tree
2016-07-14
Teemu Murtola
Use newer gcc for
c
o
verage
commit
|
commitdiff
|
tree
2016-07-07
Teemu Murtola
Change
handling fo
r
mis
s
ing releng docs
commit
|
commitdiff
|
tree
2016-06-30
Teemu Mur
t
o
la
E
x
tract string p
a
rsi
n
g
routines to utility
commit
|
commitdiff
|
tree
2016-06-28
Teemu Mur
t
ola
Split up com
p
are
.
*
commit
|
commitdiff
|
tree
2016-06-27
Teemu Murtola
Factory fo
r
creati
n
g t_inputrec
commit
|
commitdiff
|
tree
2016-06-01
Teemu
Murtola
Use C++ repl
a
cement for md_loggi
n
g
.
*
commit
|
commitdiff
|
tree
2016-06-01
Teemu Murto
l
a
Basic C++ logging in
t
erface
commit
|
commitdiff
|
tree
2016-05-31
Teemu
M
urtola
Improve make_ndx help
t
e
x
t
commit
|
commitdiff
|
tree
2016-05-25
T
eemu M
u
rto
l
a
Support
f
or r
e
al MP
I
unit te
s
ts
commit
|
commitdiff
|
tree
2016-05-24
Teemu M
u
rtola
T
e
sts for single-rank
thread affinity settin
g
commit
|
commitdiff
|
tree
2016-05-21
Teem
u
Murtola
Pass number of local thread
s
to thread affinity
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murtola
Allow creating
moc
k
HardwareTopology objects
commit
|
commitdiff
|
tree
2016-05-21
Teemu
M
urto
l
a
Use
only Ha
r
dwareTo
p
ology f
o
r thread affinity
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murto
l
a
Me
r
g
e br
a
nch release
-
2
0
16
commit
|
commitdiff
|
tree
next