repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Merge branch release-2016
2017-09-04
Teemu Murtola
Introduce self-pairs search
i
n
nbsearch
commit
|
commitdiff
|
tree
2017-09-04
Teem
u
Murtol
a
Refact
o
r analysi
s
nbsearch tests
commit
|
commitdiff
|
tree
2017-08-21
Teemu Murtola
Simple union-find structure
commit
|
commitdiff
|
tree
2017-07-19
Tee
m
u Mur
t
o
la
Prune
u
nnece
s
s
ary cell
s
in analysi
s
nbsearch
commit
|
commitdiff
|
tree
2017-07-17
Te
e
mu
M
u
rtola
Fix hwloc detecti
o
n
commit
|
commitdiff
|
tree
2017-07-11
Teem
u
Murtola
Sup
p
ort
s
cop
e
d ke
y
-value tree transform rul
e
s
commit
|
commitdiff
|
tree
2017-07-06
Teemu Murt
o
la
Detect unknown mdp opti
o
ns in
g
mx dum
p
/
check
commit
|
commitdiff
|
tree
2017-06-30
Teemu M
u
r
tola
F
i
x boolean
s
e
rialization
commit
|
commitdiff
|
tree
2017-06-30
Teemu Mu
r
tola
Extend key
-
v
alue tree comparison and tes
t
s
commit
|
commitdiff
|
tree
2017-06-29
T
e
emu Murtola
Generaliz
e
IFo
r
ceP
r
ovid
e
r
commit
|
commitdiff
|
tree
2017-06-28
Teemu M
u
rtola
Extend ke
y
-
v
a
lue tree serializa
t
ion
and
tests
commit
|
commitdiff
|
tree
2017-06-27
T
e
emu Murtola
Do
not use
c
onf-man
.
py for no
n
-manpage doc bu
i
lds
commit
|
commitdiff
|
tree
2017-05-29
Teemu
M
urtola
Avoid so
m
e incorrect
b
e
h
a
vior with g
m
x solvat
e
commit
|
commitdiff
|
tree
2017-05-29
Teemu Murt
o
la
Remo
v
e p
b
cutil
<
-
> mdtypes c
y
clic d
e
pen
d
ency
commit
|
commitdiff
|
tree
2017-05-11
T
eemu Murtola
Gene
r
alize co
m
mand-l
i
ne test output file checking
commit
|
commitdiff
|
tree
2017-04-17
Te
e
mu Murtola
Consistent ap
p
roa
c
h
for whole-pr
o
g
r
a
m tests
commit
|
commitdiff
|
tree
2017-04-11
Teemu Murtola
Impro
v
e
k
ey-value
tree gmx dump su
p
port
commit
|
commitdiff
|
tree
2017-04-06
T
e
emu
Murtol
a
Fix mem
o
ry acce
s
s issues in
g
m
x solvate
commit
|
commitdiff
|
tree
2017-04-06
T
eemu Mu
r
tol
a
Con
s
ist
e
nt naming for
gmxana test
s
commit
|
commitdiff
|
tree
2017-04-04
T
e
emu Murto
l
a
Utility f
u
n
c
tions
f
or formatting string values
commit
|
commitdiff
|
tree
2017-03-13
Teemu Murtola
Improve
option support & tests for key-value trees
commit
|
commitdiff
|
tree
2017-03-13
Teemu
Mu
r
tola
Remo
v
e manual alignment
fro
m
InMemorySerializer
commit
|
commitdiff
|
tree
2017-03-12
T
eemu
Murtola
Consis
t
ent TextWrit
e
r trai
l
in
g
whitespace handling
commit
|
commitdiff
|
tree
2017-03-11
Tee
m
u Mu
r
tola
Updat
e
copyright y
e
ar for gmx -version
commit
|
commitdiff
|
tree
2017-03-04
Teemu M
u
rto
l
a
Remove MDModu
l
es use fr
o
m mdli
b
commit
|
commitdiff
|
tree
2017-03-04
Teem
u
Murtola
Sp
l
it md module
facets to different in
t
e
r
faces
commit
|
commitdiff
|
tree
2017-02-28
Teemu Murtola
More documentat
i
o
n for key-valu
e
trees
commit
|
commitdiff
|
tree
2017-02-27
Teemu Murtola
Decouple t_i
n
putrec from MDModul
e
s
commit
|
commitdiff
|
tree
2017-02-27
Teemu Murtola
Remove mod
u
l
e refere
n
ce
s
from t_inputrec
commit
|
commitdiff
|
tree
2017-02-10
Teemu Murtola
C
h
eck log output in thr
e
ad
affinity tests
commit
|
commitdiff
|
tree
2017-02-09
Teemu Murt
o
la
Multi-rank thread affinity te
s
ts
commit
|
commitdiff
|
tree
2017-02-09
Te
e
mu Murtola
Document key-va
l
ue
t
ree trans
f
o
r
ms an
d
imp
r
o
v
e checks
commit
|
commitdiff
|
tree
2017-02-09
Teemu Murtol
a
Over
v
i
ew documentation for ne
w
mdp i
n
p
ut sche
m
e
commit
|
commitdiff
|
tree
2017-02-08
T
e
e
mu
Mu
r
tola
Generi
c
KeyValue
T
ree
br
o
adca
s
t
commit
|
commitdiff
|
tree
2017-02-08
Teemu
Mur
t
ola
Gene
r
ic gmx check implement
a
t
i
on w
i
th KeyV
a
lueT
r
ee
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
Generi
c
gmx dump implementation f
o
r Ke
y
ValueTree
commit
|
commitdiff
|
tree
2017-02-08
Teemu Mu
r
tol
a
Gener
i
c tpr handling fo
r
electric field
commit
|
commitdiff
|
tree
2016-12-12
Teemu Mu
r
t
o
la
Merge branch
releas
e
-20
1
6
commit
|
commitdiff
|
tree
2016-12-10
Teemu Murtola
M
inor CM
a
ke clea
n
up & mode
r
nization
commit
|
commitdiff
|
tree
2016-12-10
Te
e
mu M
u
rtol
a
Build scripts fo
r
impro
v
e
d
release workflow
commit
|
commitdiff
|
tree
2016-12-08
Teemu
M
urtola
Fix and clean up
h
and
l
ing o
f
some linki
n
g
commit
|
commitdiff
|
tree
2016-12-08
Teemu Mu
r
tola
Fix possible
m
e
m
o
ry error with lon
g
selections
commit
|
commitdiff
|
tree
2016-12-07
T
eemu
M
urtola
F
i
x us
e
of positi
o
n
v
ariab
l
es w
i
th
p
lus/mer
g
e
commit
|
commitdiff
|
tree
2016-11-29
Teemu Murtola
Additional sel
e
ction help
commit
|
commitdiff
|
tree
2016-11-06
Teemu Murtol
a
Add sele
c
t
i
on-enabled gmx traj
commit
|
commitdiff
|
tree
2016-10-30
Teem
u
M
urtola
Suppo
r
t
normalizing v
a
lues in KeyValueTree
commit
|
commitdiff
|
tree
2016-10-24
Teemu Murto
l
a
E
lectric field mdp
p
arsing using options
commit
|
commitdiff
|
tree
2016-10-24
Teemu M
u
rtola
Support fo
r
default values from Options to KeyValueTr
e
e
commit
|
commitdiff
|
tree
2016-10-21
T
eemu Murtola
Clea
n
u
p option
(default) value acc
e
ss
commit
|
commitdiff
|
tree
2016-10-19
Te
e
mu Murtola
S
er
i
al
i
zation suppo
r
t for KeyVa
l
ueTree
commit
|
commitdiff
|
tree
2016-10-17
Teemu Murto
l
a
Suppor
t
optio
n
assignment from different
p
recis
i
on
commit
|
commitdiff
|
tree
2016-10-17
Te
e
m
u
Murtola
A
dd
s
u
p
p
ort f
o
r readin
g
value
s
from refda
t
a
commit
|
commitdiff
|
tree
2016-10-16
T
ee
m
u Murtola
Imp
r
oved error handling
f
or KeyValueTree ope
r
ations
commit
|
commitdiff
|
tree
2016-10-15
Teemu Murt
o
la
Imp
r
oved ad
d
re
s
s sanitizer
s
u
p
port
commit
|
commitdiff
|
tree
2016-10-15
Teemu Murtola
Work around memory leak in t
_
stat
e
commit
|
commitdiff
|
tree
2016-10-15
Teemu Murtola
Fix mos
t
mem
o
ry leaks recently introduced
commit
|
commitdiff
|
tree
2016-10-14
Te
e
mu Murto
l
a
U
se g
m
x
_
mtop_
t
in selections, part 3
commit
|
commitdiff
|
tree
2016-10-14
Teemu Murtola
Use gmx_mtop_t
i
n
selectio
n
s, part 2
commit
|
commitdiff
|
tree
2016-10-13
Teemu Murtola
U
se gmx_mtop_
t
in sel
e
cti
o
ns,
p
ar
t
2
commit
|
commitdiff
|
tree
2016-10-13
T
eem
u
Murtola
Add back-mapping
t
o
K
e
yValueTreeTransform
commit
|
commitdiff
|
tree
2016-10-13
Teemu Mu
r
t
ola
Upd
a
te bundled TNG
commit
|
commitdiff
|
tree
2016-10-13
Teem
u
Murtol
a
Getter for mapped path
s
fr
o
m KeyValue
T
re
e
Transform
commit
|
commitdiff
|
tree
2016-10-12
Tee
m
u
Murtola
Use gmx_m
t
op
_
t in sele
c
tio
n
s, p
a
rt 1
commit
|
commitdiff
|
tree
2016-10-12
Teemu
Murtola
Wrap sel
.
method evaluation par
a
meters to struc
t
commit
|
commitdiff
|
tree
2016-10-11
T
eemu Murtol
a
S
u
ppor
t
concurr
e
nt
t
_topology and gmx_mtop_t use
commit
|
commitdiff
|
tree
2016-10-11
Teemu Murtola
Check a
t
om ma
s
s availa
b
ility
i
n
sele
c
tion
s
commit
|
commitdiff
|
tree
2016-10-05
Teem
u
M
urtol
a
Support dif
f
erent key ma
t
c
hing in
K
e
yValueTreeTransform
commit
|
commitdiff
|
tree
2016-10-05
Te
e
mu Mu
r
tola
Merge "M
e
rge b
r
an
c
h release-5
-
1 into release-2016"
.
.
.
commit
|
commitdiff
|
tree
2016-09-24
Teemu Murtola
Fix
d
e
fault nice leve
l
in
mdrun-only bu
i
l
d
commit
|
commitdiff
|
tree
2016-09-12
Teemu
M
urto
l
a
Fix various memory
leak
s
commit
|
commitdiff
|
tree
2016-09-07
Teemu M
u
r
t
ola
C
lean up
CTest te
s
t manageme
n
t
commit
|
commitdiff
|
tree
2016-08-30
T
e
emu Mur
t
o
l
a
B
asic suppo
r
t for
t
ran
s
fo
r
ming K
e
yV
a
lueTrees
commit
|
commitdiff
|
tree
2016-08-27
Teemu Murtola
Sup
p
o
rt K
e
y
V
alueTree objects in refdata
commit
|
commitdiff
|
tree
2016-08-18
Teemu Murtola
Ch
e
ck for unused r
e
fdata va
l
ues
commit
|
commitdiff
|
tree
2016-08-18
Teemu Murto
l
a
Generic structured k
e
y-value
t
ree
for
o
ption
s
commit
|
commitdiff
|
tree
2016-08-18
T
eemu Murtola
Support for non-string
option va
l
ue assi
g
nm
e
nt
commit
|
commitdiff
|
tree
2016-08-17
Teemu
M
urtola
B
a
sic su
p
port for
a
rray-o
f
-
s
t
ruc
t
s
i
n
o
p
t
i
ons
commit
|
commitdiff
|
tree
2016-08-17
Tee
m
u Murtol
a
G
ene
r
ali
z
e
and simplify opti
o
n
v
alu
e
storage
commit
|
commitdiff
|
tree
2016-08-17
Teemu Mu
r
to
l
a
Generaliz
e
option secti
o
n i
n
te
r
nals
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtol
a
Reimplemen
t
subsect
i
ons in Opti
o
ns
commit
|
commitdiff
|
tree
2016-08-04
Teemu Murtola
Fix/improve
d
o
c links in template/README
commit
|
commitdiff
|
tree
2016-08-01
Teemu Murtol
a
Fun
c
tion to split delimited strings
commit
|
commitdiff
|
tree
2016-07-14
Teem
u
Mur
t
ola
Us
e
newe
r
gcc for cover
a
ge
commit
|
commitdiff
|
tree
2016-07-07
T
e
e
m
u M
u
rtola
Change handling for
miss
i
n
g
releng d
o
cs
commit
|
commitdiff
|
tree
2016-06-30
Te
e
mu M
u
rtola
Extract strin
g
p
a
rsing routin
e
s
to utili
t
y
commit
|
commitdiff
|
tree
2016-06-28
Teemu Murtola
Split
u
p co
m
pare
.
*
commit
|
commitdiff
|
tree
2016-06-27
Tee
m
u
Murtola
F
a
ctory
for
crea
t
ing t_inputrec
commit
|
commitdiff
|
tree
2016-06-01
Tee
m
u Murtola
U
s
e
C++ r
e
pl
a
cem
e
nt
f
o
r
md_logging
.
*
commit
|
commitdiff
|
tree
2016-06-01
Tee
m
u
M
urtola
Basic C+
+
logging interface
commit
|
commitdiff
|
tree
2016-05-31
T
e
emu Murtola
Improve
m
ak
e
_
ndx
h
elp tex
t
commit
|
commitdiff
|
tree
2016-05-25
Teemu Murto
l
a
Support for rea
l
MPI
uni
t
te
s
t
s
commit
|
commitdiff
|
tree
2016-05-24
Teem
u
Murtola
Tests f
o
r single-rank threa
d
affi
n
ity
s
ettin
g
commit
|
commitdiff
|
tree
2016-05-21
Tee
m
u
M
urtola
Pa
s
s
n
umber
o
f local
threads t
o
thread affinity
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murtola
Al
l
ow creating mo
c
k Ha
r
dwareTopology objects
commit
|
commitdiff
|
tree
2016-05-21
Teemu
Murtola
U
se only HardwareTo
p
ology
for thread
affinity
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murtola
M
e
r
g
e branch release-2016
commit
|
commitdiff
|
tree
2016-05-21
T
eemu Murt
o
l
a
Bump version n
u
mbers for
2017 deve
l
opme
n
t
commit
|
commitdiff
|
tree
2016-05-17
T
e
emu Murtola
Fix some thread affinity cases
commit
|
commitdiff
|
tree
2016-05-10
T
e
emu
Murto
l
a
A
d
diti
o
nal
J
enkins documentation
commit
|
commitdiff
|
tree
2016-05-10
Teemu Murt
o
l
a
Include relen
g
documentation to deve
l
oper g
u
ide
commit
|
commitdiff
|
tree
next