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Set buffers appropriately so .xpm files can be read.
2019-11-04
T
e
emu Murto
l
a
Upda
t
e
cl
a
ng
-
f
ormat con
f
ig
commit
|
commitdiff
|
tree
2019-01-29
T
e
emu
M
urto
l
a
Avoid warnings wi
t
h Ap
p
le Clang
commit
|
commitdiff
|
tree
2019-01-13
Teem
u
Murtola
U
se lab
e
l to
sele
c
t d
o
xygen version
commit
|
commitdiff
|
tree
2018-12-24
Teem
u
Murt
o
la
Us
e
label
to select
doxygen version
commit
|
commitdiff
|
tree
2017-09-04
Teemu Murtola
I
ntroduce
self-pair
s
s
earch in nbsearch
commit
|
commitdiff
|
tree
2017-09-04
Teemu
Murto
l
a
Refa
c
tor an
a
lysis nbsearch tests
commit
|
commitdiff
|
tree
2017-08-21
Teemu Murtol
a
S
imple union-find structure
commit
|
commitdiff
|
tree
2017-07-19
T
e
emu Murto
l
a
Prune u
n
necess
a
r
y c
e
lls in analysis nbse
a
rch
commit
|
commitdiff
|
tree
2017-07-17
T
e
emu Mur
t
ola
Fix hwloc detection
commit
|
commitdiff
|
tree
2017-07-11
Teemu Murt
o
la
Supp
o
r
t scoped
key
-
value
tree
t
r
a
n
sform rul
e
s
commit
|
commitdiff
|
tree
2017-07-06
Teemu Murtola
Detec
t
un
k
nown
m
d
p options in gmx dump/check
commit
|
commitdiff
|
tree
2017-06-30
T
e
emu Mur
t
ola
F
i
x boolean ser
i
aliza
t
i
o
n
commit
|
commitdiff
|
tree
2017-06-30
Teemu M
u
r
t
ola
Extend k
e
y-valu
e
tree comparison and tests
commit
|
commitdiff
|
tree
2017-06-29
Teemu
M
ur
t
ola
G
eneralize IForceP
r
o
v
id
e
r
commit
|
commitdiff
|
tree
2017-06-28
Teemu
M
urt
o
la
Extend key
-
value tree serialization and tests
commit
|
commitdiff
|
tree
2017-06-27
Teemu Murtola
Do not use conf-man
.
py f
o
r non-manpage doc builds
commit
|
commitdiff
|
tree
2017-05-29
T
eemu Murtola
Avoid s
o
me inc
o
rrect
b
ehav
i
or wit
h
gmx solva
t
e
commit
|
commitdiff
|
tree
2017-05-29
Teemu Murtola
Remove pbcutil <-> mdtypes cy
c
lic dependenc
y
commit
|
commitdiff
|
tree
2017-05-11
Teemu Murto
l
a
Generalize comman
d
-
l
ine test outp
u
t fil
e
checking
commit
|
commitdiff
|
tree
2017-04-17
Teemu
M
u
r
to
l
a
Cons
i
sten
t
approach
for whole-pro
g
ram tests
commit
|
commitdiff
|
tree
2017-04-11
Te
e
mu Murtola
Improve
k
ey-value
t
r
ee gmx dump supp
o
r
t
commit
|
commitdiff
|
tree
2017-04-06
Teem
u
Murtola
Fix memory access i
s
sues
in
g
mx solvate
commit
|
commitdiff
|
tree
2017-04-06
Teemu Murtola
Consisten
t
naming
for g
m
x
ana tests
commit
|
commitdiff
|
tree
2017-04-04
Tee
m
u Murt
o
la
Utility fun
c
tio
n
s
for formatting string value
s
commit
|
commitdiff
|
tree
2017-03-13
Teemu Murtola
Imp
r
ove option sup
p
ort &
t
ests for
key-v
a
lue trees
commit
|
commitdiff
|
tree
2017-03-13
Teemu Mur
t
ola
Remove man
u
al a
l
ign
m
ent
f
rom
InM
e
morySer
i
al
i
ze
r
commit
|
commitdiff
|
tree
2017-03-12
Teemu Mu
r
tola
Consiste
n
t
TextWriter traili
n
g whitespace
han
d
ling
commit
|
commitdiff
|
tree
2017-03-11
Teemu M
u
rtol
a
Update c
o
pyr
i
ght yea
r
for gmx -version
commit
|
commitdiff
|
tree
2017-03-04
Teemu Murto
l
a
Remove MDModul
e
s u
s
e
fro
m
m
dl
i
b
commit
|
commitdiff
|
tree
2017-03-04
Teemu
Murtola
Spli
t
md modul
e
facets to diff
e
rent int
e
rfaces
commit
|
commitdiff
|
tree
2017-02-28
Teemu Murtola
More doc
u
men
t
ation f
o
r
k
e
y
-value tree
s
commit
|
commitdiff
|
tree
2017-02-27
Teem
u
Murtola
Decouple
t
_
inp
u
trec from MDMo
d
ul
e
s
commit
|
commitdiff
|
tree
2017-02-27
Teemu Murtola
Remove m
o
dule references from t_inputr
e
c
commit
|
commitdiff
|
tree
2017-02-10
Te
e
m
u M
u
rtola
Ch
e
ck log output i
n
thread affinity tests
commit
|
commitdiff
|
tree
2017-02-09
Teem
u
Murtola
Multi-rank thread affi
n
ity t
e
s
t
s
commit
|
commitdiff
|
tree
2017-02-09
Teemu Murtol
a
Document key-val
u
e
t
ree tran
s
forms and im
p
rove
checks
commit
|
commitdiff
|
tree
2017-02-09
Te
e
m
u
Murtola
Overview docu
m
enta
t
i
o
n
f
or new mdp
i
nput scheme
commit
|
commitdiff
|
tree
2017-02-08
Teem
u
M
urto
l
a
Generic KeyValueTree
broa
d
cast
commit
|
commitdiff
|
tree
2017-02-08
Te
e
m
u
M
urtola
Ge
n
eric
gmx check implementatio
n
with
KeyValueTr
e
e
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
Generi
c
g
m
x
dump i
m
plement
a
tion for KeyValueTree
commit
|
commitdiff
|
tree
2017-02-08
Teemu M
u
r
tola
Gener
i
c tp
r
handling for electric field
commit
|
commitdiff
|
tree
2016-12-12
T
eemu Murtola
Merge bra
n
ch release-2016
commit
|
commitdiff
|
tree
2016-12-10
Teemu Murtola
Minor CMake cleanup &
mod
e
r
n
ization
commit
|
commitdiff
|
tree
2016-12-10
Teemu Murtola
B
u
ild scripts fo
r
i
mproved relea
s
e
workflow
commit
|
commitdiff
|
tree
2016-12-08
Teemu M
u
r
t
ol
a
F
ix and clea
n
up h
a
ndling of some
link
i
ng
commit
|
commitdiff
|
tree
2016-12-08
Teemu Murtola
Fix p
o
ssible memory e
r
r
o
r with l
o
ng selections
commit
|
commitdiff
|
tree
2016-12-07
Teemu Murtola
Fix use of positio
n
va
r
iables w
i
th p
l
us/merge
commit
|
commitdiff
|
tree
2016-11-29
Teemu Murt
o
l
a
Additional selection help
commit
|
commitdiff
|
tree
2016-11-06
Teemu
M
urtola
A
d
d
selection
-
enabled gmx traj
commit
|
commitdiff
|
tree
2016-10-30
Teemu Murtola
Suppo
r
t normaliz
i
ng values in
K
eyValueTree
commit
|
commitdiff
|
tree
2016-10-24
T
e
e
m
u Murto
l
a
Electric field mdp parsi
n
g usi
n
g options
commit
|
commitdiff
|
tree
2016-10-24
T
e
emu Murtola
Support for default
va
l
ues from Opti
o
ns to KeyValueTre
e
commit
|
commitdiff
|
tree
2016-10-21
T
e
emu
M
urtola
C
l
ean up option (default) val
u
e acc
e
ss
commit
|
commitdiff
|
tree
2016-10-19
Teemu Murtol
a
Serialization supp
o
r
t
for K
e
yValueTree
commit
|
commitdiff
|
tree
2016-10-17
Teemu Murtola
Su
p
por
t
opti
o
n assig
n
me
n
t from diff
e
r
e
nt
p
recision
commit
|
commitdiff
|
tree
2016-10-17
Te
e
mu Murtola
A
d
d suppo
r
t fo
r
reading val
u
es from refdata
commit
|
commitdiff
|
tree
2016-10-16
T
eemu Murtol
a
Improved er
r
or
han
d
lin
g
for KeyValueTree
o
pera
t
ions
commit
|
commitdiff
|
tree
2016-10-15
Teemu
M
urt
o
la
Improve
d
addre
s
s sanitize
r
support
commit
|
commitdiff
|
tree
2016-10-15
Teemu Murto
l
a
Work around memory
l
ea
k
i
n t_state
commit
|
commitdiff
|
tree
2016-10-15
Teemu Murto
l
a
Fix most memory leaks recently introduced
commit
|
commitdiff
|
tree
2016-10-14
Te
e
m
u Murtola
Use g
m
x_mtop_t in sele
c
tions, par
t
3
commit
|
commitdiff
|
tree
2016-10-14
Teem
u
Mur
t
ola
Use gmx_mtop_t in selections, pa
r
t 2
commit
|
commitdiff
|
tree
2016-10-13
Teemu Mu
r
t
o
la
U
s
e g
m
x_mtop
_
t
in sele
c
t
ions, par
t
2
commit
|
commitdiff
|
tree
2016-10-13
Teemu M
u
r
t
o
l
a
Add back-mapping to KeyV
a
l
u
eTreeTransform
commit
|
commitdiff
|
tree
2016-10-13
Teemu M
u
r
t
o
la
Update bun
d
led T
N
G
commit
|
commitdiff
|
tree
2016-10-13
Teem
u
Murtola
Ge
t
ter fo
r
mapped p
a
ths fr
o
m
KeyValueT
r
eeTr
a
nsform
commit
|
commitdiff
|
tree
2016-10-12
Teemu
Murtola
Use gmx_mtop_t in
select
i
ons, pa
r
t
1
commit
|
commitdiff
|
tree
2016-10-12
Tee
m
u Murtola
Wrap se
l
.
method evaluat
i
on parameters to struct
commit
|
commitdiff
|
tree
2016-10-11
Teemu Murtola
Supp
o
rt co
n
current t_
t
o
p
olo
g
y
a
nd g
m
x_mtop_t use
commit
|
commitdiff
|
tree
2016-10-11
T
eemu Mur
t
o
l
a
C
h
eck
a
t
o
m
m
ass av
a
ilabilit
y
in selections
commit
|
commitdiff
|
tree
2016-10-05
Teemu Murtola
Support d
i
fferent key matching in KeyVa
l
ueTreeTransf
o
rm
commit
|
commitdiff
|
tree
2016-10-05
Teemu
Mur
t
ola
Merge "Merge
branch release-5-1 into relea
s
e-2016"
.
.
.
commit
|
commitdiff
|
tree
2016-09-24
Teemu Murtola
Fix defa
u
l
t n
i
c
e level in mdrun-only b
u
il
d
commit
|
commitdiff
|
tree
2016-09-12
Teem
u
Murtola
Fi
x
various memory leaks
commit
|
commitdiff
|
tree
2016-09-07
Teemu Murtola
Clean up CTest test managem
e
n
t
commit
|
commitdiff
|
tree
2016-08-30
Teem
u
Mu
r
tola
Basic
s
upport for transf
o
rm
i
ng K
e
yValu
e
Tre
e
s
commit
|
commitdiff
|
tree
2016-08-27
Teemu Murtola
Support KeyValueTree object
s
i
n
refdata
commit
|
commitdiff
|
tree
2016-08-18
T
e
e
mu Mu
r
tola
C
h
eck fo
r
unused refdata val
u
es
commit
|
commitdiff
|
tree
2016-08-18
T
eemu Murtola
Generic structur
e
d key-value tree for
options
commit
|
commitdiff
|
tree
2016-08-18
T
e
emu Murtola
Supp
o
rt for non-str
i
ng option va
l
ue assignment
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtola
B
a
sic support for arra
y
-of-
s
tr
u
ct
s
in opti
o
n
s
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtola
Ge
n
eralize
a
nd si
m
plify op
t
ion v
a
lue
s
t
o
rage
commit
|
commitdiff
|
tree
2016-08-17
Teemu M
u
rtola
Gener
a
lize option s
e
ction internals
commit
|
commitdiff
|
tree
2016-08-17
Teemu
M
urt
o
l
a
Rei
m
plement
s
ubse
c
ti
o
n
s in Op
t
ions
commit
|
commitdiff
|
tree
2016-08-04
Teemu Murtola
Fix/improve doc
links in
t
emplate/README
commit
|
commitdiff
|
tree
2016-08-01
Teemu
Murtola
F
u
nc
t
i
o
n to
s
plit delimit
e
d strin
g
s
commit
|
commitdiff
|
tree
2016-07-14
Teemu Mu
r
to
l
a
U
se newer
gcc
for cov
e
rag
e
commit
|
commitdiff
|
tree
2016-07-07
T
e
e
m
u Murtola
C
hange
h
andl
i
ng
f
or
mi
s
s
i
ng releng docs
commit
|
commitdiff
|
tree
2016-06-30
T
e
emu Mur
t
ol
a
Extra
c
t
string parsing routines
to utility
commit
|
commitdiff
|
tree
2016-06-28
Teemu Mur
t
o
la
Split
u
p
c
ompare
.
*
commit
|
commitdiff
|
tree
2016-06-27
Te
e
mu Mur
t
ola
F
a
ctory for
c
r
eating t_inputrec
commit
|
commitdiff
|
tree
2016-06-01
Tee
m
u
M
u
r
tola
Use C++ replacement
for md_logging
.
*
commit
|
commitdiff
|
tree
2016-06-01
Teemu Murt
o
la
Basic C++
lo
g
ging
i
nter
f
ace
commit
|
commitdiff
|
tree
2016-05-31
Teem
u
Murtola
Improve make_ndx h
e
lp
text
commit
|
commitdiff
|
tree
2016-05-25
T
e
emu
Mu
r
t
o
l
a
S
u
pport for rea
l
MPI unit te
s
ts
commit
|
commitdiff
|
tree
2016-05-24
Teemu Murtola
Tests for s
i
ngle
-
rank
th
r
ead affinity setting
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murtola
Pas
s
numb
e
r
of
loca
l
th
r
e
a
d
s to thre
a
d affinity
commit
|
commitdiff
|
tree
2016-05-21
T
eem
u
Murtola
Allow
c
reating mock Hardwa
r
eTopology objects
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murtola
Use
o
nly HardwareTopolo
g
y for thread af
f
inity
commit
|
commitdiff
|
tree
2016-05-21
Te
e
mu Murtol
a
Merge branch rel
e
ase-2
0
16
commit
|
commitdiff
|
tree
next