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Generalize command-line test output file checking
2017-05-11
Teemu
M
urtola
G
e
n
eralize command-line test out
p
ut file checking
commit
|
commitdiff
|
tree
2017-04-17
Teemu Murtola
Con
s
istent app
r
oach for whole-program t
e
sts
commit
|
commitdiff
|
tree
2017-04-11
Teemu
M
u
rtola
I
m
prove
k
ey-value tree gmx du
m
p support
commit
|
commitdiff
|
tree
2017-04-06
Teemu Murtola
F
ix mem
o
ry
ac
c
ess issues i
n
gmx solvate
commit
|
commitdiff
|
tree
2017-04-06
Teemu Mur
t
ola
Consistent naming for g
m
xana t
e
sts
commit
|
commitdiff
|
tree
2017-04-04
Teem
u
Murtola
Util
i
ty functions for for
m
att
i
ng string
v
alues
commit
|
commitdiff
|
tree
2017-03-13
Teemu Mu
r
tola
Imp
r
ov
e
option
sup
p
ort & tests fo
r
key-value trees
commit
|
commitdiff
|
tree
2017-03-13
T
e
emu Murtola
Remove
m
anua
l
alignment
f
rom InMemorySerialize
r
commit
|
commitdiff
|
tree
2017-03-12
Teemu Murtol
a
C
o
nsis
t
ent Tex
t
Writer trailing whit
e
s
p
a
ce ha
n
dling
commit
|
commitdiff
|
tree
2017-03-11
Tee
m
u
Murtola
Update
c
opyright
year for gmx
-version
commit
|
commitdiff
|
tree
2017-03-04
Teem
u
Murtola
Remove MDModules u
s
e from mdlib
commit
|
commitdiff
|
tree
2017-03-04
Teem
u
Murtola
Split md mod
u
l
e
facets to differ
e
nt inte
r
faces
commit
|
commitdiff
|
tree
2017-02-28
Teem
u
Murt
o
la
M
ore documen
t
ation for
key-
v
alue trees
commit
|
commitdiff
|
tree
2017-02-27
Teemu Murtola
Decouple
t
_inputrec
f
rom M
D
Modules
commit
|
commitdiff
|
tree
2017-02-27
Teem
u
Murtola
R
e
m
o
ve mod
u
le references fr
o
m t_inputrec
commit
|
commitdiff
|
tree
2017-02-10
Te
e
mu Murto
l
a
Chec
k
log
o
u
tput in th
r
ead affinity te
s
t
s
commit
|
commitdiff
|
tree
2017-02-09
T
eemu Murtola
Mu
l
ti-rank thread
a
ffinit
y
tests
commit
|
commitdiff
|
tree
2017-02-09
Teemu Murtola
D
o
cument
key-value tree tran
s
forms and improve checks
commit
|
commitdiff
|
tree
2017-02-09
Te
e
mu Murto
l
a
Ove
r
v
i
e
w documentat
i
on for new mdp
i
nput scheme
commit
|
commitdiff
|
tree
2017-02-08
Te
e
m
u Mu
r
t
o
la
G
e
n
e
ric KeyV
a
lueTree broa
d
cast
commit
|
commitdiff
|
tree
2017-02-08
T
e
emu M
u
rt
o
la
G
e
neric gmx check imple
m
e
n
tation with KeyValueTree
commit
|
commitdiff
|
tree
2017-02-08
Te
e
mu Murt
o
la
Generic gmx dump im
p
lement
a
ti
o
n for Ke
y
ValueTree
commit
|
commitdiff
|
tree
2017-02-08
T
e
emu Mu
r
tol
a
G
eneric tpr hand
l
ing
for elect
r
ic field
commit
|
commitdiff
|
tree
2016-12-12
Teem
u
Murtola
Merge branch release-2016
commit
|
commitdiff
|
tree
2016-12-10
Teemu Murtol
a
M
inor CMa
k
e
cleanu
p
& modern
i
za
t
ion
commit
|
commitdiff
|
tree
2016-12-10
Teemu M
u
r
t
ola
Bui
l
d scripts for
i
mproved release workflow
commit
|
commitdiff
|
tree
2016-12-08
Te
e
mu Murtola
F
ix and clean up
han
d
ling of some linking
commit
|
commitdiff
|
tree
2016-12-08
Teemu Murtola
F
ix possible
m
em
o
ry
e
r
ror with lon
g
selection
s
commit
|
commitdiff
|
tree
2016-12-07
Teemu Mu
r
to
l
a
Fix u
s
e of posi
t
ion varia
b
les with plus/merge
commit
|
commitdiff
|
tree
2016-11-29
Teemu Murtola
Additiona
l
selection help
commit
|
commitdiff
|
tree
2016-11-06
Teemu M
u
rtola
Ad
d
s
e
lecti
o
n-enab
l
ed gmx traj
commit
|
commitdiff
|
tree
2016-10-30
T
e
emu
M
urtola
S
u
pport normal
i
zing values in
KeyVal
u
eTree
commit
|
commitdiff
|
tree
2016-10-24
Teemu Murto
l
a
Elect
r
ic fiel
d
mdp p
a
rsing
u
sing
options
commit
|
commitdiff
|
tree
2016-10-24
Te
e
mu M
u
rtola
Su
p
por
t
f
o
r d
e
fau
l
t v
a
lues from Options t
o
KeyVal
u
eTr
e
e
commit
|
commitdiff
|
tree
2016-10-21
Teemu
M
urtola
Clean up
o
p
t
ion (d
e
fault)
value acce
s
s
commit
|
commitdiff
|
tree
2016-10-19
Teemu Murtola
Serializa
t
i
o
n support for K
e
yValueTree
commit
|
commitdiff
|
tree
2016-10-17
Te
e
mu M
u
rtola
S
u
pport
o
ption ass
i
gnment fr
o
m di
f
feren
t
p
r
ecision
commit
|
commitdiff
|
tree
2016-10-17
Teemu Murtola
Add support
for rea
d
ing
v
alues fr
o
m
r
ef
d
at
a
commit
|
commitdiff
|
tree
2016-10-16
Teemu Murtola
Improved
e
rr
o
r handling for K
e
yValueTree
operations
commit
|
commitdiff
|
tree
2016-10-15
Teemu Murtola
Imp
r
ove
d
address saniti
z
e
r
s
uppo
r
t
commit
|
commitdiff
|
tree
2016-10-15
Te
e
mu Murtola
Wor
k
ar
o
und memory leak in
t
_state
commit
|
commitdiff
|
tree
2016-10-15
Teemu Murtola
Fix
most mem
o
r
y
leaks recently intro
d
uced
commit
|
commitdiff
|
tree
2016-10-14
Teemu
M
urtola
Use gmx_mtop_
t
in selections,
part 3
commit
|
commitdiff
|
tree
2016-10-14
T
ee
m
u Murtola
Us
e
gmx_mt
o
p_t in selec
t
ion
s
, part 2
commit
|
commitdiff
|
tree
2016-10-13
Teemu Murto
l
a
Use
g
mx_mto
p
_t in se
l
ec
t
ions
,
part 2
commit
|
commitdiff
|
tree
2016-10-13
Teem
u
M
u
r
to
l
a
Add back-mapping to KeyValueTr
e
e
Transform
commit
|
commitdiff
|
tree
2016-10-13
Teemu Mu
r
tola
Update bundled TNG
commit
|
commitdiff
|
tree
2016-10-13
Teemu
M
u
r
tola
Getter for mapped paths fr
o
m KeyV
a
l
ueTreeTr
a
nsfor
m
commit
|
commitdiff
|
tree
2016-10-12
Teemu Murtola
Use gmx_mtop_t in selections, part 1
commit
|
commitdiff
|
tree
2016-10-12
Teemu Murtol
a
Wr
a
p sel
.
method eval
u
a
tion par
a
meter
s
to struct
commit
|
commitdiff
|
tree
2016-10-11
Te
e
mu Mur
t
ol
a
Support concurrent t_topol
o
gy and gmx_mtop_t use
commit
|
commitdiff
|
tree
2016-10-11
T
eemu Mu
r
tola
C
heck
atom mass a
v
a
ilability in s
e
le
c
t
ions
commit
|
commitdiff
|
tree
2016-10-05
T
e
em
u
Murtola
Supp
o
rt d
i
fferent key matching in K
e
yValueTreeTransfor
m
commit
|
commitdiff
|
tree
2016-10-05
Tee
m
u Murtola
Merge "Merge
b
ran
c
h release-5-1 into r
e
le
a
se-2016"
.
.
.
commit
|
commitdiff
|
tree
2016-09-24
Tee
m
u Mur
t
ola
Fix default nice leve
l
in mdr
u
n-only build
commit
|
commitdiff
|
tree
2016-09-12
Teemu Murtola
Fix various m
e
mory leaks
commit
|
commitdiff
|
tree
2016-09-07
T
e
emu Murto
l
a
Clean up CTest
test managem
e
nt
commit
|
commitdiff
|
tree
2016-08-30
Teemu Mu
r
tol
a
Basic
support for
transforming K
e
y
ValueTrees
commit
|
commitdiff
|
tree
2016-08-27
Teemu M
u
rtola
Support
K
eyVa
l
u
eTr
e
e obj
e
cts
i
n refdata
commit
|
commitdiff
|
tree
2016-08-18
Teemu Murt
o
l
a
Check fo
r
unused refdata
v
a
l
ues
commit
|
commitdiff
|
tree
2016-08-18
T
ee
m
u Murtola
Generic structure
d
key-v
a
lue tree for opt
i
ons
commit
|
commitdiff
|
tree
2016-08-18
Teemu Murtola
Support
f
or non-string option
v
a
l
u
e as
s
ignm
e
nt
commit
|
commitdiff
|
tree
2016-08-17
T
eemu Mur
t
ola
Basic
support for array-of-structs i
n
o
p
tions
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtola
G
eneralize and simplify optio
n
valu
e
storage
commit
|
commitdiff
|
tree
2016-08-17
Teemu M
u
rtola
Gene
r
a
l
ize opt
i
on section in
t
ernals
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murt
o
la
R
eimplement subsections in
O
ptions
commit
|
commitdiff
|
tree
2016-08-04
Teemu Murtola
F
ix/improve doc link
s
in template
/
R
EADME
commit
|
commitdiff
|
tree
2016-08-01
T
eemu
Mur
t
ola
Function t
o
split delimi
t
ed strings
commit
|
commitdiff
|
tree
2016-07-14
Teemu Murtola
Use newe
r
gcc for cover
a
ge
commit
|
commitdiff
|
tree
2016-07-07
Teemu Murtola
Change
h
an
d
ling
f
or missin
g
releng docs
commit
|
commitdiff
|
tree
2016-06-30
T
e
emu
Murtola
Extract string parsing
r
out
i
n
e
s to utility
commit
|
commitdiff
|
tree
2016-06-28
Teemu Murtola
Split up compare
.
*
commit
|
commitdiff
|
tree
2016-06-27
Teemu Mur
t
o
l
a
Factory
f
o
r creating t_inputrec
commit
|
commitdiff
|
tree
2016-06-01
Teem
u
Murtola
Use C
+
+ replacement for md_log
g
i
n
g
.
*
commit
|
commitdiff
|
tree
2016-06-01
Teemu Murtola
B
a
sic C++ logging i
n
terf
a
ce
commit
|
commitdiff
|
tree
2016-05-31
T
eemu Murtola
Improve ma
k
e_ndx help
text
commit
|
commitdiff
|
tree
2016-05-25
Teemu M
u
rtola
Support fo
r
real
MPI unit te
s
ts
commit
|
commitdiff
|
tree
2016-05-24
Teemu Murtola
Tests for single-ra
n
k
t
h
read affinity sett
i
n
g
commit
|
commitdiff
|
tree
2016-05-21
Teem
u
Murtola
P
ass
number of l
o
ca
l
t
hread
s
t
o
thread affinity
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murtola
All
o
w c
r
eating mock Ha
r
dwareTopo
l
o
gy objects
commit
|
commitdiff
|
tree
2016-05-21
Te
e
mu Murtola
Use only Hardwa
r
eTopolo
g
y
for thread affinity
commit
|
commitdiff
|
tree
2016-05-21
T
e
emu Murtola
Merge branch rel
e
ase-201
6
commit
|
commitdiff
|
tree
2016-05-21
T
e
em
u
Murtola
Bump version numbers for
2
01
7
devel
o
pm
e
nt
commit
|
commitdiff
|
tree
2016-05-17
Teemu Murt
o
la
Fi
x
some
t
hread affinity cases
commit
|
commitdiff
|
tree
2016-05-10
Tee
m
u
Murtola
Additional
Jenkins documentation
commit
|
commitdiff
|
tree
2016-05-10
T
ee
m
u Murtola
Include releng documentation to developer guide
commit
|
commitdiff
|
tree
2016-05-08
T
e
emu
M
u
r
tola
Support
f
or Op
e
nCL C
I
builds
commit
|
commitdiff
|
tree
2016-05-05
Teemu M
u
rtola
Merg
e
branch release
-
5-1
commit
|
commitdiff
|
tree
2016-05-05
Teemu Murtol
a
Make Sphinx
b
uild silent for version 1
.
3
+
commit
|
commitdiff
|
tree
2016-05-03
Teemu Murtola
Mark optional input/
o
u
tput files in gmx order
commit
|
commitdiff
|
tree
2016-04-28
Te
e
m
u
Murtola
Use HardwareTopology to set nt
h
reads_hw_a
v
ail
commit
|
commitdiff
|
tree
2016-04-28
Teemu Murtola
Remove gmx_hw_
i
nfo_t:
:
ncore
commit
|
commitdiff
|
tree
2016-04-27
Teem
u
Mu
r
to
l
a
Improve
release work
f
l
ow
tes
t
ing
commit
|
commitdiff
|
tree
2016-04-27
Teemu Mu
r
tola
Dis
a
b
l
e multiple rank
s
for n
o
n-
M
PI unit tests
commit
|
commitdiff
|
tree
2016-04-27
Teemu Mu
r
t
o
la
Fix
i
ssues
with failing th
r
ead affi
n
i
t
y setting
commit
|
commitdiff
|
tree
2016-04-27
Teemu
M
urtola
M
erge "
M
erge b
r
anc
h
r
e
l
e
ase-5-1"
commit
|
commitdiff
|
tree
2016-04-18
T
e
emu Murtola
Make
thre
a
d af
f
i
nity fail
u
r
e
s always e
n
d up in
l
o
g
commit
|
commitdiff
|
tree
2016-03-30
T
e
e
m
u Mu
r
tola
Make i
n
cludesorter
.
py work
w
i
t
h Doxygen 1
.
8
.
1
0+
commit
|
commitdiff
|
tree
2016-03-30
Teemu Murt
o
la
Fix
error reporting for
do
c
umen
t
ation
b
u
i
ld
commit
|
commitdiff
|
tree
2016-03-28
Teemu Murtola
More
support for release workflow
commit
|
commitdiff
|
tree
next