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
Introduce self-pairs search in nbsearch
2017-09-04
Teemu Murto
l
a
Intr
o
duce self-
p
airs
s
earch in
nbsearch
commit
|
commitdiff
|
tree
2017-09-04
Teem
u
Murtola
R
e
factor analy
s
is
n
bsearch tests
commit
|
commitdiff
|
tree
2017-08-21
Teemu Murt
o
l
a
S
i
m
p
le uni
o
n-find str
u
cture
commit
|
commitdiff
|
tree
2017-07-19
T
e
emu Murtola
P
rune
u
nn
e
ce
s
sar
y
cell
s
in analy
s
is
nbsea
r
ch
commit
|
commitdiff
|
tree
2017-07-17
Tee
m
u Murtola
F
ix hwloc
det
e
c
t
i
on
commit
|
commitdiff
|
tree
2017-07-11
Teemu Mur
t
o
la
S
u
pport
sco
p
ed key
-
v
a
l
ue
tree transform rul
e
s
commit
|
commitdiff
|
tree
2017-07-06
Teemu
Murtola
Detect unknow
n
mdp
o
p
ti
o
ns
in
g
mx
d
ump
/
check
commit
|
commitdiff
|
tree
2017-06-30
Teem
u
Murtola
Fix boolean serialization
commit
|
commitdiff
|
tree
2017-06-30
T
eemu Mu
r
t
o
la
Exten
d
k
e
y-v
a
lue tr
e
e comparison and
tests
commit
|
commitdiff
|
tree
2017-06-29
T
e
emu Murtola
Generali
z
e IForc
e
Prov
i
d
er
commit
|
commitdiff
|
tree
2017-06-28
Teemu Murt
o
la
Ex
t
end
key-v
a
lue tree serialization
a
nd t
e
sts
commit
|
commitdiff
|
tree
2017-06-27
Teemu Murtola
D
o
not
u
se conf-
m
an
.
py for non-manpage doc builds
commit
|
commitdiff
|
tree
2017-05-29
T
e
e
mu
Murtola
Avo
i
d
some inc
o
r
r
ect behavior with gmx solvate
commit
|
commitdiff
|
tree
2017-05-29
Tee
m
u Murt
o
la
Re
m
o
v
e pbcutil <-> mdty
p
es cycl
i
c
dependen
c
y
commit
|
commitdiff
|
tree
2017-05-11
Tee
m
u Murt
o
la
G
e
neralize command-
l
ine test output
f
i
le checking
commit
|
commitdiff
|
tree
2017-04-17
Te
e
mu
M
urtol
a
Consistent ap
p
roach for
w
hole-program t
e
sts
commit
|
commitdiff
|
tree
2017-04-11
T
eemu M
u
rtola
Imp
r
ove key-
v
alu
e
tree gmx dump
support
commit
|
commitdiff
|
tree
2017-04-06
Teemu Murtola
Fix
memor
y
acces
s
issues
in gmx
s
o
lvate
commit
|
commitdiff
|
tree
2017-04-06
Te
e
mu Murto
l
a
C
on
s
istent naming for gm
x
a
na tests
commit
|
commitdiff
|
tree
2017-04-04
Teemu Murt
o
la
U
tility functions for formatting st
r
ing values
commit
|
commitdiff
|
tree
2017-03-13
Teemu
Murtola
Improve option s
u
pport & tests f
o
r
key-value
trees
commit
|
commitdiff
|
tree
2017-03-13
Teemu Mur
t
ola
R
emo
v
e man
u
al alignment from I
n
Memo
r
ySerializer
commit
|
commitdiff
|
tree
2017-03-12
Teemu Murtola
Consisten
t
T
extWr
i
ter tra
i
ling w
h
itespac
e
handling
commit
|
commitdiff
|
tree
2017-03-11
Teemu Murtola
Update cop
y
r
ight yea
r
for gmx -v
e
r
s
ion
commit
|
commitdiff
|
tree
2017-03-04
Teem
u
Mu
r
tola
R
e
move
MDModul
e
s use
from m
d
l
i
b
commit
|
commitdiff
|
tree
2017-03-04
Teemu Mu
r
tola
Split md m
o
d
u
le f
a
cets t
o
d
i
fferent i
n
terfaces
commit
|
commitdiff
|
tree
2017-02-28
Tee
m
u Mur
t
ola
More
document
a
tion for key-value
trees
commit
|
commitdiff
|
tree
2017-02-27
Teemu Mur
t
ola
D
e
cou
p
le t_inpu
t
re
c
from MDModu
l
es
commit
|
commitdiff
|
tree
2017-02-27
Teemu
M
urtola
Remove mod
u
le ref
e
rences f
r
om
t_i
n
putrec
commit
|
commitdiff
|
tree
2017-02-10
T
eemu Mu
r
tola
C
heck
log output in threa
d
affi
n
ity t
e
sts
commit
|
commitdiff
|
tree
2017-02-09
Teemu Murtol
a
Multi-
r
ank thread affinity tests
commit
|
commitdiff
|
tree
2017-02-09
T
e
emu Murtol
a
D
o
c
u
men
t
key-value tree transform
s
and improve ch
e
cks
commit
|
commitdiff
|
tree
2017-02-09
Te
e
mu Mur
t
ola
O
v
erview d
o
cumentation
for new
m
dp input
s
ch
e
m
e
commit
|
commitdiff
|
tree
2017-02-08
Teem
u
Murtola
Gen
e
ric KeyValueTr
e
e
broa
d
ca
s
t
commit
|
commitdiff
|
tree
2017-02-08
Teem
u
Murtola
Generic gmx check
i
mplemen
t
ation wit
h
K
e
yValueTree
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtol
a
Generic gmx
dum
p
implementati
o
n for KeyValueTree
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
Gener
i
c tpr handli
n
g
for electri
c
field
commit
|
commitdiff
|
tree
2016-12-12
Teemu Murtola
Merge branch release-2016
commit
|
commitdiff
|
tree
2016-12-10
T
eemu Murtola
Mino
r
CMake cleanup & moderni
z
ation
commit
|
commitdiff
|
tree
2016-12-10
T
e
emu Murtola
Build scripts
for impro
v
ed re
l
ease w
o
r
k
f
l
o
w
commit
|
commitdiff
|
tree
2016-12-08
Teemu
M
urtola
Fix and clean up han
d
l
i
n
g
of some
linki
n
g
commit
|
commitdiff
|
tree
2016-12-08
Teemu Murtola
Fix
possib
l
e memory error wit
h
long sel
e
c
tions
commit
|
commitdiff
|
tree
2016-12-07
Teemu Murto
l
a
F
ix use of position
v
ariables with plus
/
merge
commit
|
commitdiff
|
tree
2016-11-29
Teemu Murtola
Add
i
t
ional selection help
commit
|
commitdiff
|
tree
2016-11-06
Teemu Murtol
a
Add selection-enabled gmx traj
commit
|
commitdiff
|
tree
2016-10-30
Teemu Murto
l
a
S
uppor
t
normali
z
ing values in KeyValueTre
e
commit
|
commitdiff
|
tree
2016-10-24
Teem
u
Murtol
a
Electric field mdp pa
r
sing using
opt
i
ons
commit
|
commitdiff
|
tree
2016-10-24
T
eemu M
u
rtola
Sup
p
o
rt
f
or defa
u
lt values from Options to K
e
yVa
l
u
eTree
commit
|
commitdiff
|
tree
2016-10-21
Teemu Murtola
Clean
up optio
n
(defa
u
lt) value acces
s
commit
|
commitdiff
|
tree
2016-10-19
Teemu Murtola
Seriali
z
ation support for
K
eyV
a
lueTree
commit
|
commitdiff
|
tree
2016-10-17
Teemu Mu
r
t
ola
Support option
a
ssi
g
n
ment from different precision
commit
|
commitdiff
|
tree
2016-10-17
Teemu Murtola
Add su
p
p
ort for re
a
ding v
a
lues from refdata
commit
|
commitdiff
|
tree
2016-10-16
Teemu M
u
rtola
I
m
p
r
ove
d
e
r
ror han
d
l
ing for KeyValueTr
e
e operations
commit
|
commitdiff
|
tree
2016-10-15
Tee
m
u
Mur
t
ola
I
m
proved ad
d
ress
s
anitizer
s
up
p
ort
commit
|
commitdiff
|
tree
2016-10-15
T
e
emu
M
ur
t
o
la
Work around memory leak in t_s
t
ate
commit
|
commitdiff
|
tree
2016-10-15
Teemu Murtola
Fix most
memory l
e
aks
r
ecently introduced
commit
|
commitdiff
|
tree
2016-10-14
T
e
emu M
u
r
tola
Use gmx_mtop
_
t in select
i
o
n
s, part 3
commit
|
commitdiff
|
tree
2016-10-14
Teemu Murtola
Use gmx_mtop_
t
i
n selection
s
, part 2
commit
|
commitdiff
|
tree
2016-10-13
T
e
emu M
u
r
t
ola
Us
e
gmx_mtop
_
t
in se
l
ectio
n
s, part 2
commit
|
commitdiff
|
tree
2016-10-13
Tee
m
u Murtola
Add back-mapping to Ke
y
ValueTreeTransform
commit
|
commitdiff
|
tree
2016-10-13
T
e
e
m
u
Murto
l
a
Upda
t
e bund
l
ed TNG
commit
|
commitdiff
|
tree
2016-10-13
T
eemu
Murtola
Ge
t
ter fo
r
mapped path
s
fro
m
KeyV
a
lueTre
e
Transfo
r
m
commit
|
commitdiff
|
tree
2016-10-12
Teem
u
Murtola
Use g
m
x_mtop_t
in select
i
ons, part 1
commit
|
commitdiff
|
tree
2016-10-12
Teemu
Murt
o
l
a
Wrap sel
.
meth
o
d evaluation p
a
r
ameters t
o
struct
commit
|
commitdiff
|
tree
2016-10-11
Teemu Murtola
Support conc
u
rrent t_topology and gmx_mto
p
_t us
e
commit
|
commitdiff
|
tree
2016-10-11
Teemu Murt
o
la
Check atom
mass availability
in s
e
lections
commit
|
commitdiff
|
tree
2016-10-05
Teemu Murtola
S
upport different key mat
c
hing in
K
eyValueTreeTra
n
sform
commit
|
commitdiff
|
tree
2016-10-05
Teemu M
u
rtola
M
e
r
ge
"
M
e
rge
b
r
anch
release-5-1 in
t
o releas
e
-2016
"
.
.
.
commit
|
commitdiff
|
tree
2016-09-24
Teemu Mur
t
ola
Fix defau
l
t
n
i
ce l
e
vel in mdrun-only
b
ui
l
d
commit
|
commitdiff
|
tree
2016-09-12
Teemu Murtola
Fix var
i
ous memory leaks
commit
|
commitdiff
|
tree
2016-09-07
T
e
e
mu Murt
o
la
C
lean u
p
CTest test
m
anageme
n
t
commit
|
commitdiff
|
tree
2016-08-30
Teemu M
u
r
tol
a
B
a
si
c
support for transforming KeyValueTrees
commit
|
commitdiff
|
tree
2016-08-27
Teemu Murtola
Support KeyValueTr
e
e ob
j
e
cts in refdat
a
commit
|
commitdiff
|
tree
2016-08-18
Teemu Murtola
Check for un
u
s
e
d refdata values
commit
|
commitdiff
|
tree
2016-08-18
Teemu Murt
o
la
Generi
c
structur
e
d key-value tree
f
or options
commit
|
commitdiff
|
tree
2016-08-18
T
e
emu
Murtol
a
S
u
p
p
ort for non-string opti
o
n valu
e
assignment
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtola
Basic support for array-of
-
struc
t
s in options
commit
|
commitdiff
|
tree
2016-08-17
Tee
m
u
M
urtola
Gen
e
ralize
and simplif
y
opti
o
n v
a
l
ue storag
e
commit
|
commitdiff
|
tree
2016-08-17
Teemu
M
u
r
t
ola
Ge
n
eralize option sect
i
on int
e
r
n
a
ls
commit
|
commitdiff
|
tree
2016-08-17
Te
e
m
u
M
ur
t
ola
Reimplement
s
ubsections i
n
Options
commit
|
commitdiff
|
tree
2016-08-04
T
eemu Murtola
F
i
x/impr
o
ve doc links in template
/
READM
E
commit
|
commitdiff
|
tree
2016-08-01
T
e
emu
Murt
o
la
F
un
c
tion to spl
i
t delimited strings
commit
|
commitdiff
|
tree
2016-07-14
Tee
m
u M
u
r
t
o
la
Use new
e
r gcc
f
or cov
e
ra
g
e
commit
|
commitdiff
|
tree
2016-07-07
Teemu M
u
rt
o
la
Chan
g
e
h
a
ndling for m
i
ssing r
e
len
g
docs
commit
|
commitdiff
|
tree
2016-06-30
Teem
u
Murtol
a
Extr
a
ct string parsing rou
t
i
nes t
o
utility
commit
|
commitdiff
|
tree
2016-06-28
Teemu Murto
l
a
S
plit up comp
a
re
.
*
commit
|
commitdiff
|
tree
2016-06-27
Teemu Murtola
Fac
t
o
r
y for creating t_inputrec
commit
|
commitdiff
|
tree
2016-06-01
T
eemu Murt
o
la
Use C
+
+ repla
c
e
ment for md_lo
g
ging
.
*
commit
|
commitdiff
|
tree
2016-06-01
Teemu M
u
r
tola
Basic C++ logging int
e
r
f
a
c
e
commit
|
commitdiff
|
tree
2016-05-31
Teemu Mu
r
t
ola
Im
p
rove make
_
ndx hel
p
te
x
t
commit
|
commitdiff
|
tree
2016-05-25
Teemu Murtola
Support fo
r
real
M
PI unit test
s
commit
|
commitdiff
|
tree
2016-05-24
Teemu Murtola
Tests
for
sing
l
e-
r
ank thread aff
i
nity setting
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murtola
Pass n
u
mber of local th
r
eads
to thread affinity
commit
|
commitdiff
|
tree
2016-05-21
T
eemu Murtola
Allow creating
m
ock Har
d
war
e
Topology obje
c
ts
commit
|
commitdiff
|
tree
2016-05-21
Te
e
mu Murtola
Use only HardwareTopology for thread
a
f
f
ini
t
y
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murto
l
a
Me
r
g
e
b
r
an
c
h
release-2016
commit
|
commitdiff
|
tree
2016-05-21
Teemu M
u
rtola
Bump ver
s
i
on numbers
for 2017
d
evelopme
n
t
commit
|
commitdiff
|
tree
2016-05-17
Teemu Mu
r
t
ola
Fix some t
h
read a
f
finity cases
commit
|
commitdiff
|
tree
2016-05-10
Teemu Murtola
Ad
d
itional Jenkins
d
oc
u
mentation
commit
|
commitdiff
|
tree
2016-05-10
T
e
em
u
M
urtola
Include relen
g
d
ocumentation to de
v
eloper guid
e
commit
|
commitdiff
|
tree
next