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Fixed typo in GMXRC.csh.cmakein
2019-11-04
T
e
emu Murtola
Update clang-format c
o
n
f
ig
commit
|
commitdiff
|
tree
2019-01-29
Tee
m
u Murto
l
a
Avoi
d
wa
r
nings with A
p
ple Clang
commit
|
commitdiff
|
tree
2019-01-13
T
e
e
m
u Murtola
Use lab
e
l to select doxygen version
commit
|
commitdiff
|
tree
2018-12-24
T
eemu
Murtola
Use lab
e
l
to s
e
lect doxygen version
commit
|
commitdiff
|
tree
2017-09-04
T
e
e
mu Murtola
In
t
ro
d
uce self-pairs search
i
n
n
bsearch
commit
|
commitdiff
|
tree
2017-09-04
Teemu Mu
r
tola
Re
f
a
c
tor analysis nbsear
c
h tests
commit
|
commitdiff
|
tree
2017-08-21
Te
e
mu Murtola
Si
m
ple
union-find st
r
ucture
commit
|
commitdiff
|
tree
2017-07-19
Te
e
mu M
u
rt
o
l
a
Prune unnece
s
s
ary
c
el
l
s in
a
nalysis nbsear
c
h
commit
|
commitdiff
|
tree
2017-07-17
Teemu Murtol
a
Fix h
w
l
oc detection
commit
|
commitdiff
|
tree
2017-07-11
Teemu Murtola
S
uppo
r
t
scoped key-v
a
lue tree
t
r
ansform
rules
commit
|
commitdiff
|
tree
2017-07-06
Teemu
Mur
t
ola
Detect
unknown mdp options in gmx dump/check
commit
|
commitdiff
|
tree
2017-06-30
Teemu
M
urtola
Fix boolean
serializati
o
n
commit
|
commitdiff
|
tree
2017-06-30
Teemu Murtola
Extend key-value tree co
m
p
arison and tests
commit
|
commitdiff
|
tree
2017-06-29
T
e
emu M
u
rtola
Generali
z
e IForc
e
Provider
commit
|
commitdiff
|
tree
2017-06-28
Teemu
Murtola
E
x
tend key-valu
e
tree serializati
o
n a
n
d tests
commit
|
commitdiff
|
tree
2017-06-27
Teemu Murtola
D
o not use
conf-
m
an
.
py for non-manpage d
o
c buil
d
s
commit
|
commitdiff
|
tree
2017-05-29
Teemu M
u
rtola
Avoid some i
n
c
o
r
r
e
c
t behavior with gmx solvate
commit
|
commitdiff
|
tree
2017-05-29
Te
e
mu Murtola
R
e
move pb
c
u
til <->
mdtypes cyclic depend
e
ncy
commit
|
commitdiff
|
tree
2017-05-11
Teemu Murtola
Ge
n
eralize command-lin
e
tes
t
output file
c
heck
i
ng
commit
|
commitdiff
|
tree
2017-04-17
T
e
emu
M
ur
t
ola
Consi
s
tent appro
a
ch for who
l
e-program
t
ests
commit
|
commitdiff
|
tree
2017-04-11
Teemu M
u
rtol
a
Impr
o
ve key-value
tree gmx dump suppo
r
t
commit
|
commitdiff
|
tree
2017-04-06
Teemu Mur
t
ola
Fix memory access issues in gmx s
o
lv
a
te
commit
|
commitdiff
|
tree
2017-04-06
Teemu Murtola
Consiste
n
t na
m
ing for gmxana test
s
commit
|
commitdiff
|
tree
2017-04-04
Teemu
Murtola
U
t
ilit
y
func
t
io
n
s fo
r
formatting
string val
u
es
commit
|
commitdiff
|
tree
2017-03-13
Te
e
mu Murtola
Improve option support & tests f
o
r key-
v
alu
e
t
r
ees
commit
|
commitdiff
|
tree
2017-03-13
Teemu Murtola
Remove ma
n
ual al
i
gnment from I
n
MemorySer
i
alizer
commit
|
commitdiff
|
tree
2017-03-12
T
eemu Mu
r
tola
Consistent TextWriter trailing whitespace
h
andling
commit
|
commitdiff
|
tree
2017-03-11
T
e
emu M
u
rtola
Upd
a
te copyright year
f
or gmx -ve
r
sion
commit
|
commitdiff
|
tree
2017-03-04
T
e
emu
M
urtola
Remove MDMo
d
ules use from
m
d
l
i
b
commit
|
commitdiff
|
tree
2017-03-04
Teemu Murt
o
l
a
S
plit md module
f
acets
to diffe
r
ent interfaces
commit
|
commitdiff
|
tree
2017-02-28
T
e
emu Mur
t
ola
More documentation for key-valu
e
tr
e
e
s
commit
|
commitdiff
|
tree
2017-02-27
Teemu Murtola
Decou
p
le t_in
p
utre
c
f
r
o
m
MDModules
commit
|
commitdiff
|
tree
2017-02-27
Teemu Murtola
Remove modu
l
e references from t_inpu
t
rec
commit
|
commitdiff
|
tree
2017-02-10
Teemu Murtol
a
Ch
e
ck log out
p
ut in thread affinity tests
commit
|
commitdiff
|
tree
2017-02-09
Te
e
mu M
u
rtola
Multi-rank thread affinity tests
commit
|
commitdiff
|
tree
2017-02-09
Teemu Murtola
D
o
cument key-value tree tr
a
nsf
o
rms and impro
v
e checks
commit
|
commitdiff
|
tree
2017-02-09
T
eemu Murtola
Overview documentatio
n
for
n
ew mdp inpu
t
sc
h
eme
commit
|
commitdiff
|
tree
2017-02-08
T
e
e
m
u
Murto
l
a
Generic
KeyValueTre
e
broadcast
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
Generi
c
gmx
check
implementati
o
n wi
t
h
KeyValueTree
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
Generic gm
x
dump implem
e
ntation f
o
r K
e
yValueTr
e
e
commit
|
commitdiff
|
tree
2017-02-08
T
e
emu Murtol
a
Gene
r
ic tpr handl
i
ng fo
r
electric field
commit
|
commitdiff
|
tree
2016-12-12
T
e
emu Murtol
a
Merge branc
h
releas
e
-2016
commit
|
commitdiff
|
tree
2016-12-10
Teemu
M
ur
t
o
l
a
Minor
C
Make cleanup & moderni
z
ati
o
n
commit
|
commitdiff
|
tree
2016-12-10
Teemu Murt
o
la
Build scripts for im
p
roved rele
a
se work
f
low
commit
|
commitdiff
|
tree
2016-12-08
Teemu Murtola
Fix
a
n
d
c
l
ean up
ha
n
dli
n
g of
some lin
k
ing
commit
|
commitdiff
|
tree
2016-12-08
Teemu
M
urtola
Fix possible memory error with
l
ong selections
commit
|
commitdiff
|
tree
2016-12-07
Teem
u
Murto
l
a
Fi
x
use of
p
o
s
itio
n
v
a
r
i
ables wit
h
plus/merge
commit
|
commitdiff
|
tree
2016-11-29
Teemu Murto
l
a
Additional s
e
lection help
commit
|
commitdiff
|
tree
2016-11-06
Teemu Mur
t
ola
Add selection-enabled
g
mx traj
commit
|
commitdiff
|
tree
2016-10-30
Teem
u
Murtola
Supp
o
rt
n
or
m
alizi
n
g
v
alues
in
K
eyValueTree
commit
|
commitdiff
|
tree
2016-10-24
Te
e
m
u Murtola
E
lectric field mdp parsi
n
g using
o
ptions
commit
|
commitdiff
|
tree
2016-10-24
Te
e
m
u
M
u
r
tol
a
Support for de
f
ault values from Opt
i
ons t
o
K
e
yValueT
r
e
e
commit
|
commitdiff
|
tree
2016-10-21
Teemu Murt
o
la
Cle
a
n up
o
ption (default) value access
commit
|
commitdiff
|
tree
2016-10-19
Teemu Mur
t
o
l
a
S
erializati
o
n suppo
r
t for KeyValueTre
e
commit
|
commitdiff
|
tree
2016-10-17
Teemu Murtola
Supp
o
rt option assign
m
ent f
r
om d
i
fferent pre
c
ision
commit
|
commitdiff
|
tree
2016-10-17
T
e
emu Mur
t
ola
Add support fo
r
rea
d
ing
values from refdat
a
commit
|
commitdiff
|
tree
2016-10-16
Teemu Murtola
Im
p
r
oved
e
r
ror handling for
K
eyValueTr
e
e operations
commit
|
commitdiff
|
tree
2016-10-15
Teemu Murtola
Im
p
roved a
d
dress sanitiz
e
r supp
o
rt
commit
|
commitdiff
|
tree
2016-10-15
Teemu Murtola
Work around memory leak in t_state
commit
|
commitdiff
|
tree
2016-10-15
T
eemu
M
u
rtola
F
ix most
m
emory leaks recentl
y
i
n
t
r
oduced
commit
|
commitdiff
|
tree
2016-10-14
Teemu
M
urtola
Use gmx_m
t
op_
t
in se
l
ect
i
ons, par
t
3
commit
|
commitdiff
|
tree
2016-10-14
T
eemu Murto
l
a
Use gmx_mtop
_
t in sele
c
t
ions,
p
art 2
commit
|
commitdiff
|
tree
2016-10-13
Teemu
M
u
r
t
ola
Use gmx
_
m
top_t i
n
selections, part
2
commit
|
commitdiff
|
tree
2016-10-13
Tee
m
u Murtola
Add
b
a
c
k-mapping t
o
KeyValue
T
reeTrans
f
o
r
m
commit
|
commitdiff
|
tree
2016-10-13
Teemu Murtola
Update bundled
T
NG
commit
|
commitdiff
|
tree
2016-10-13
Tee
m
u Murtola
Getter for ma
p
ped paths fr
o
m
KeyValue
T
reeTransform
commit
|
commitdiff
|
tree
2016-10-12
Tee
m
u Murtola
Use gmx_mtop_t in sele
c
tions, part 1
commit
|
commitdiff
|
tree
2016-10-12
T
eemu Mur
t
ola
Wr
a
p sel
.
me
t
hod evaluation p
a
ramete
r
s
to stru
c
t
commit
|
commitdiff
|
tree
2016-10-11
Teemu Murtola
Support
c
oncurren
t
t_topology and gmx_mtop_t u
s
e
commit
|
commitdiff
|
tree
2016-10-11
T
e
em
u
Murtola
Check atom mas
s
a
vaila
b
i
lit
y
i
n
selections
commit
|
commitdiff
|
tree
2016-10-05
T
eemu
M
u
r
tol
a
Support differen
t
ke
y
ma
t
ching
in KeyValueT
r
eeTransfor
m
commit
|
commitdiff
|
tree
2016-10-05
Teemu M
u
r
tol
a
M
erg
e
"Merge branc
h
r
e
le
a
se-5-1 into relea
s
e-2016"
.
.
.
commit
|
commitdiff
|
tree
2016-09-24
Te
e
m
u
Murtola
Fix default n
i
c
e level in
m
d
ru
n
-o
n
ly bu
i
ld
commit
|
commitdiff
|
tree
2016-09-12
Teem
u
M
u
rtola
Fix va
r
ious
memory leaks
commit
|
commitdiff
|
tree
2016-09-07
Teemu Murtola
Clean up CT
e
st test manag
e
ment
commit
|
commitdiff
|
tree
2016-08-30
Teemu M
u
rtola
Basic su
p
port for transfo
r
ming KeyV
a
lueTrees
commit
|
commitdiff
|
tree
2016-08-27
Teemu Murtola
Support
K
eyValu
e
Tree objects
in r
e
fdat
a
commit
|
commitdiff
|
tree
2016-08-18
Teemu Murtola
Ch
e
ck fo
r
unused refdata values
commit
|
commitdiff
|
tree
2016-08-18
Teemu Murto
l
a
G
e
neri
c
structu
r
ed key-value tr
e
e for
o
ptions
commit
|
commitdiff
|
tree
2016-08-18
Teemu Murtola
Support for non-string
o
ption value assignm
e
nt
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtola
Basic
support fo
r
array-o
f
-str
u
c
ts in options
commit
|
commitdiff
|
tree
2016-08-17
Te
e
mu Murtola
Generalize and simplif
y
option
v
alue storage
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtola
Generalize option sect
i
on
inte
r
n
als
commit
|
commitdiff
|
tree
2016-08-17
T
e
emu
M
u
rt
o
la
Rei
m
plement su
b
secti
o
ns
i
n
O
p
tions
commit
|
commitdiff
|
tree
2016-08-04
Teemu Murtol
a
Fi
x
/imp
r
ove
doc link
s
in
templ
a
te/README
commit
|
commitdiff
|
tree
2016-08-01
Teem
u
Murtola
Func
t
ion
to split
d
eli
m
it
e
d strings
commit
|
commitdiff
|
tree
2016-07-14
Teemu Murtola
Use n
e
we
r
g
c
c for
cov
e
rage
commit
|
commitdiff
|
tree
2016-07-07
Te
e
m
u Murt
o
la
Ch
a
ng
e
hand
l
ing
f
or missing releng d
o
cs
commit
|
commitdiff
|
tree
2016-06-30
Teemu
M
urtola
E
x
tract string parsi
n
g rout
i
nes to
utility
commit
|
commitdiff
|
tree
2016-06-28
Te
e
mu Murt
o
l
a
Spl
i
t u
p
co
m
pare
.
*
commit
|
commitdiff
|
tree
2016-06-27
Teemu Mur
t
o
l
a
Factor
y
for creating t
_
inputrec
commit
|
commitdiff
|
tree
2016-06-01
Tee
m
u Murtol
a
U
se
C
++
replace
m
e
nt f
o
r md_l
o
gging
.
*
commit
|
commitdiff
|
tree
2016-06-01
Te
e
mu Murto
l
a
Basic
C++ logging inter
f
ace
commit
|
commitdiff
|
tree
2016-05-31
T
e
emu Murtola
Im
p
rove make
_
ndx
help text
commit
|
commitdiff
|
tree
2016-05-25
Teemu Murtol
a
S
u
pport
f
or rea
l
MPI uni
t
tests
commit
|
commitdiff
|
tree
2016-05-24
Teemu Murtol
a
Tes
t
s for single-rank thread affini
t
y setting
commit
|
commitdiff
|
tree
2016-05-21
Teemu
Murt
o
l
a
Pass n
u
mbe
r
o
f local thread
s
to thre
a
d affini
t
y
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murtola
Allow creatin
g
mo
c
k
HardwareTo
p
olog
y
o
b
jects
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murto
l
a
Us
e
o
nl
y
Hardwar
e
To
p
ology fo
r
thread af
f
inity
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murtola
Me
r
ge b
r
anch releas
e
-2
0
16
commit
|
commitdiff
|
tree
next