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Fix small leaks in do_md cleanup
2018-12-24
T
eemu Murtola
U
se label
t
o select doxyge
n
versi
o
n
commit
|
commitdiff
|
tree
2017-09-04
Teemu Mu
r
tola
Introduce self-
p
airs se
a
rch in
nbsearc
h
commit
|
commitdiff
|
tree
2017-09-04
Teemu M
u
rt
o
la
R
e
fact
o
r analysis nbse
a
rch
t
ests
commit
|
commitdiff
|
tree
2017-08-21
Teemu
Mur
t
ola
Simple union-
f
ind structure
commit
|
commitdiff
|
tree
2017-07-19
Teemu Mu
r
tola
Prun
e
unnecessary cell
s
in
a
nalysis nbsearch
commit
|
commitdiff
|
tree
2017-07-17
Teemu
Murtola
Fix
h
w
loc detection
commit
|
commitdiff
|
tree
2017-07-11
Teemu Murtola
S
u
ppo
r
t s
c
oped key
-
value tre
e
t
ransform rules
commit
|
commitdiff
|
tree
2017-07-06
Teemu Murtola
Detect u
n
known
m
dp o
p
tions in gmx dump/
c
h
e
ck
commit
|
commitdiff
|
tree
2017-06-30
Te
e
mu
Murtola
F
i
x boolean
s
eria
l
ization
commit
|
commitdiff
|
tree
2017-06-30
Teemu Murtola
Extend
key-v
a
lue
tree comp
a
rison and test
s
commit
|
commitdiff
|
tree
2017-06-29
Teemu Murt
o
la
Gene
r
alize IForceProvider
commit
|
commitdiff
|
tree
2017-06-28
Teemu Murtola
E
xtend key-v
a
lue tree serial
i
zation and te
s
t
s
commit
|
commitdiff
|
tree
2017-06-27
T
eemu Mu
r
t
o
la
Do
n
ot
u
se con
f
-man
.
p
y fo
r
non-manpage doc builds
commit
|
commitdiff
|
tree
2017-05-29
T
eemu Murto
l
a
Avo
i
d
some
i
n
c
o
r
r
ect be
h
avior with
gmx solvate
commit
|
commitdiff
|
tree
2017-05-29
Teemu Mu
r
t
o
l
a
Remove pbcutil <-> mdtypes cyclic dependen
c
y
commit
|
commitdiff
|
tree
2017-05-11
Teemu Murtola
Generalize command-
l
in
e
test output f
i
le chec
k
ing
commit
|
commitdiff
|
tree
2017-04-17
Tee
m
u Mu
r
tola
Consist
e
nt
a
pproa
c
h for whole-program tests
commit
|
commitdiff
|
tree
2017-04-11
Teemu Mu
r
tol
a
Improve key-value
t
ree g
m
x dump support
commit
|
commitdiff
|
tree
2017-04-06
Teemu
M
urtola
F
ix
m
emory ac
c
ess issues in gmx so
l
vate
commit
|
commitdiff
|
tree
2017-04-06
T
e
e
mu Murtola
Consistent
n
aming
for
g
mxana tests
commit
|
commitdiff
|
tree
2017-04-04
Teemu Murtola
Utility function
s
f
o
r form
a
tting str
i
ng val
u
es
commit
|
commitdiff
|
tree
2017-03-13
Teemu
M
urtola
Improve o
p
tion supp
o
rt & tests for key-value trees
commit
|
commitdiff
|
tree
2017-03-13
Teem
u
Murtola
Remove manual alignme
n
t from
I
nMemorySerial
i
zer
commit
|
commitdiff
|
tree
2017-03-12
Teemu
M
urtol
a
Consistent TextWriter
trailing whi
t
espace handling
commit
|
commitdiff
|
tree
2017-03-11
Teemu Murtola
Upd
a
te copyri
g
ht year for gmx -versio
n
commit
|
commitdiff
|
tree
2017-03-04
Teem
u
Murtola
Remove MDModule
s
use from mdlib
commit
|
commitdiff
|
tree
2017-03-04
Teemu Murtol
a
Spl
i
t
m
d
modul
e
fa
c
ets to
d
ifferent
i
nterfaces
commit
|
commitdiff
|
tree
2017-02-28
Teemu Murtola
More document
a
t
i
o
n
for
key-value trees
commit
|
commitdiff
|
tree
2017-02-27
Teemu Murto
l
a
De
c
o
uple t_inpu
t
rec from MDModules
commit
|
commitdiff
|
tree
2017-02-27
T
eem
u
Mu
r
tola
Remo
v
e module refer
e
n
c
es from t
_
inputrec
commit
|
commitdiff
|
tree
2017-02-10
Te
e
mu Murtola
Check log output in thread affinity te
s
ts
commit
|
commitdiff
|
tree
2017-02-09
Teemu M
u
rtola
Mult
i
-rank thread affinity test
s
commit
|
commitdiff
|
tree
2017-02-09
Teemu Murtol
a
D
ocument key-value t
r
e
e
transform
s
and
i
mprove
c
hec
k
s
commit
|
commitdiff
|
tree
2017-02-09
T
e
emu Murtola
O
verview d
o
cu
m
entation f
o
r
new mdp inp
u
t schem
e
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtol
a
G
ener
i
c KeyValueTree broadcast
commit
|
commitdiff
|
tree
2017-02-08
T
eemu Murtola
Generic gmx check impleme
n
t
a
t
ion wi
t
h KeyV
a
lueTree
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murt
o
la
Gen
e
ric g
m
x
d
u
mp
i
mplementati
o
n for
K
eyVal
u
eTr
e
e
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
G
e
neric tpr hand
l
ing for e
l
ectric fiel
d
commit
|
commitdiff
|
tree
2016-12-12
Teemu Murtola
M
erge branch rele
a
se-2016
commit
|
commitdiff
|
tree
2016-12-10
Teemu
M
urtola
Minor CMake
cleanup & moderniz
a
ti
o
n
commit
|
commitdiff
|
tree
2016-12-10
T
e
emu Murtol
a
Build scripts for improved re
l
ease workflo
w
commit
|
commitdiff
|
tree
2016-12-08
Teemu Murtola
Fix and cl
e
an up handl
i
ng of some linking
commit
|
commitdiff
|
tree
2016-12-08
Teemu Murtola
F
ix possible memory
error wit
h
long selections
commit
|
commitdiff
|
tree
2016-12-07
Teemu Murtola
Fix
us
e
of position variable
s
with plus/merg
e
commit
|
commitdiff
|
tree
2016-11-29
Teemu Murtola
Additional s
e
lecti
o
n h
e
l
p
commit
|
commitdiff
|
tree
2016-11-06
Teemu Mur
t
ola
A
d
d selection-
e
nabled gmx traj
commit
|
commitdiff
|
tree
2016-10-30
Teemu Murt
o
la
Support norma
l
izing values in KeyValu
e
T
ree
commit
|
commitdiff
|
tree
2016-10-24
Teemu Murtola
Electric field mdp parsing u
s
i
ng opti
o
n
s
commit
|
commitdiff
|
tree
2016-10-24
Teemu Murtola
Support for def
a
ult values from Optio
n
s
to KeyValue
T
r
e
e
commit
|
commitdiff
|
tree
2016-10-21
Teemu Murtola
Clean up opti
o
n (defau
l
t) va
l
ue ac
c
e
ss
commit
|
commitdiff
|
tree
2016-10-19
T
e
emu Murtola
Se
r
ialization
s
upport for
KeyValueTree
commit
|
commitdiff
|
tree
2016-10-17
T
eemu Murtola
S
uppor
t
option a
s
signm
e
nt from dif
f
erent
p
recision
commit
|
commitdiff
|
tree
2016-10-17
T
eemu
Murtol
a
Add support for reading va
l
ues from refdata
commit
|
commitdiff
|
tree
2016-10-16
Teemu Murtola
Improved error
h
andling for Ke
y
V
a
l
ueTr
e
e operations
commit
|
commitdiff
|
tree
2016-10-15
Te
e
m
u
Murtola
Improved address sanitizer s
u
pport
commit
|
commitdiff
|
tree
2016-10-15
Teemu Mu
r
tola
Work around mem
o
ry
leak in t_
s
t
ate
commit
|
commitdiff
|
tree
2016-10-15
Teem
u
Murtola
Fix most m
e
mory leaks recently
introdu
c
ed
commit
|
commitdiff
|
tree
2016-10-14
Teemu Murtola
Use gmx_
m
top_t in select
i
ons
,
part 3
commit
|
commitdiff
|
tree
2016-10-14
Teemu Murtol
a
Use gmx_m
t
o
p
_t in selection
s
,
part 2
commit
|
commitdiff
|
tree
2016-10-13
Teemu
M
urt
o
la
Use
gmx_mtop_t i
n
selections, part 2
commit
|
commitdiff
|
tree
2016-10-13
Teemu Murtola
A
dd back-ma
p
p
ing t
o
K
eyValueTreeT
r
ansfo
r
m
commit
|
commitdiff
|
tree
2016-10-13
Teemu Murtola
Update bun
d
led TNG
commit
|
commitdiff
|
tree
2016-10-13
Teemu Murto
l
a
Gette
r
for
mapped p
a
t
h
s from KeyValu
e
Tree
T
r
a
nsf
o
rm
commit
|
commitdiff
|
tree
2016-10-12
Teem
u
M
u
r
to
l
a
Use gmx_mt
o
p
_
t
i
n select
i
o
n
s, part 1
commit
|
commitdiff
|
tree
2016-10-12
Teemu Murtola
W
ra
p
sel
.
method evaluation pa
r
amete
r
s to s
t
ruct
commit
|
commitdiff
|
tree
2016-10-11
Teemu Murtola
Support concurr
e
nt t
_
topology and gmx_mtop_t use
commit
|
commitdiff
|
tree
2016-10-11
Teem
u
Murtola
Chec
k
a
t
om mass
a
vailabil
i
ty
in s
e
le
c
t
i
o
n
s
commit
|
commitdiff
|
tree
2016-10-05
Teem
u
Mur
t
ola
Supp
o
rt differe
n
t k
e
y
m
a
tch
i
ng in K
e
yValueTreeTransform
commit
|
commitdiff
|
tree
2016-10-05
Teemu Murtola
Merge
"
Merge branch release
-
5
-1 into relea
s
e-2016"
.
.
.
commit
|
commitdiff
|
tree
2016-09-24
Te
e
mu Murt
o
la
Fix defaul
t
nice
l
eve
l
in m
d
run-only build
commit
|
commitdiff
|
tree
2016-09-12
Te
e
mu
M
urtola
Fix
v
arious memor
y
leaks
commit
|
commitdiff
|
tree
2016-09-07
Te
e
mu Murto
l
a
Cle
a
n up
CTe
s
t test management
commit
|
commitdiff
|
tree
2016-08-30
Tee
m
u Murtola
Basi
c
s
u
ppo
r
t for transforming KeyValueTrees
commit
|
commitdiff
|
tree
2016-08-27
T
eemu
M
urto
l
a
Supp
o
rt
K
eyValueTree
o
b
jects in refdata
commit
|
commitdiff
|
tree
2016-08-18
Teemu Murtola
Check for unus
e
d
r
efdata values
commit
|
commitdiff
|
tree
2016-08-18
Teemu
Murtola
Generic structured ke
y
-value tree
for
o
p
t
ions
commit
|
commitdiff
|
tree
2016-08-18
Teemu
M
urtola
Supp
o
rt for no
n
-
string option valu
e
assignme
n
t
commit
|
commitdiff
|
tree
2016-08-17
T
eemu Murt
o
la
Basic support for arra
y
-of
-
stru
c
ts in
o
ptions
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtola
Generalize
a
nd simpl
i
fy op
t
ion value
st
o
r
a
ge
commit
|
commitdiff
|
tree
2016-08-17
Teemu
Murtola
General
i
ze option
s
ection in
t
e
rnal
s
commit
|
commitdiff
|
tree
2016-08-17
Teemu Mu
r
tola
R
ei
m
plement subsecti
o
n
s
in Options
commit
|
commitdiff
|
tree
2016-08-04
Tee
m
u
Murtola
Fix/improve doc
links in
t
emplate/READM
E
commit
|
commitdiff
|
tree
2016-08-01
T
e
emu Murtola
Function to
s
plit
delimite
d
strings
commit
|
commitdiff
|
tree
2016-07-14
T
e
emu Murtola
Use newer
gcc for co
v
e
r
a
ge
commit
|
commitdiff
|
tree
2016-07-07
Teemu M
u
rtola
C
h
an
g
e
h
a
n
dli
n
g for missin
g
releng doc
s
commit
|
commitdiff
|
tree
2016-06-30
T
eemu Murtola
Extract string parsi
n
g routines
t
o ut
i
lity
commit
|
commitdiff
|
tree
2016-06-28
T
e
e
m
u Murto
l
a
Spl
i
t up compare
.
*
commit
|
commitdiff
|
tree
2016-06-27
Teemu Murtola
Factory fo
r
c
reating t_inp
u
tre
c
commit
|
commitdiff
|
tree
2016-06-01
Teemu Murtola
Use C++ repl
a
cement for md_logging
.
*
commit
|
commitdiff
|
tree
2016-06-01
Te
e
mu Murtola
Ba
s
ic
C++ lo
g
ging interface
commit
|
commitdiff
|
tree
2016-05-31
T
ee
m
u Murtola
I
mprov
e
make_ndx help text
commit
|
commitdiff
|
tree
2016-05-25
Teemu Murtola
S
u
ppo
r
t for real MPI unit tests
commit
|
commitdiff
|
tree
2016-05-24
Teemu Murtola
Test
s
f
o
r
single-rank threa
d
affini
t
y se
t
ting
commit
|
commitdiff
|
tree
2016-05-21
Te
e
mu M
u
r
t
ola
Pas
s
number of local threads to thread aff
i
ni
t
y
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murtol
a
Allow
cr
e
atin
g
m
o
c
k
Ha
r
dwareTopology objects
commit
|
commitdiff
|
tree
2016-05-21
T
eemu Murtola
Use only HardwareTopology for thread
affinity
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murtol
a
Merge b
r
anch
r
e
lease-2016
commit
|
commitdiff
|
tree
2016-05-21
Teemu Mur
t
ola
Bump versi
o
n numbers for 2017
development
commit
|
commitdiff
|
tree
2016-05-17
Teemu Murto
l
a
Fix
some thread aff
i
nit
y
cases
commit
|
commitdiff
|
tree
2016-05-10
Teem
u
Mu
r
tola
Addit
i
onal Je
n
kins do
c
umentation
commit
|
commitdiff
|
tree
next