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Generalize IForceProvider
2017-06-29
Te
e
mu Murtola
Generalize IForceProvider
commit
|
commitdiff
|
tree
2017-06-28
T
e
emu
Murtola
Extend k
e
y-value tree serialization an
d
te
s
t
s
commit
|
commitdiff
|
tree
2017-06-27
T
eemu Murtola
D
o no
t
us
e
c
onf-
m
an
.
py
f
o
r non-manpa
g
e doc builds
commit
|
commitdiff
|
tree
2017-05-29
Teemu Murtola
Avoid some incorre
c
t beh
a
vi
o
r with gmx
s
olvate
commit
|
commitdiff
|
tree
2017-05-29
Teemu
M
u
rtola
Remove pbcutil <-> mdtypes cy
c
lic dependency
commit
|
commitdiff
|
tree
2017-05-11
Teemu Murtola
Gener
a
lize comman
d
-line t
e
s
t output file checking
commit
|
commitdiff
|
tree
2017-04-17
T
e
emu Murto
l
a
Co
n
sisten
t
a
p
p
roach for whole
-
program tests
commit
|
commitdiff
|
tree
2017-04-11
Teemu Mu
r
to
l
a
Improve key-value tree g
m
x
d
u
m
p
s
up
p
o
r
t
commit
|
commitdiff
|
tree
2017-04-06
Teemu Murt
o
la
Fix memory access issues i
n
g
m
x solvate
commit
|
commitdiff
|
tree
2017-04-06
Teemu Murtola
Consist
e
nt naming
for g
m
xana tests
commit
|
commitdiff
|
tree
2017-04-04
T
eem
u
M
u
rtola
U
t
i
li
t
y f
u
nctio
n
s for
forma
t
ting string values
commit
|
commitdiff
|
tree
2017-03-13
Teemu Murtol
a
Improve opt
i
on su
p
port & test
s
for key-value
trees
commit
|
commitdiff
|
tree
2017-03-13
Teemu
Murtol
a
Remove manu
a
l align
m
ent from InMemorySerializ
e
r
commit
|
commitdiff
|
tree
2017-03-12
T
e
emu
M
urt
o
la
C
o
nsistent TextWriter t
r
a
iling whites
p
a
c
e
handling
commit
|
commitdiff
|
tree
2017-03-11
Teemu Murto
l
a
Update
c
opy
r
ight
year for gmx -
v
ers
i
on
commit
|
commitdiff
|
tree
2017-03-04
Teem
u
Murtola
Remove
M
DModules use from mdli
b
commit
|
commitdiff
|
tree
2017-03-04
Teemu Mu
r
tola
Split
md module facets to d
i
ff
e
rent
i
nterfaces
commit
|
commitdiff
|
tree
2017-02-28
Tee
m
u Murto
l
a
More d
o
cumentation for key-value trees
commit
|
commitdiff
|
tree
2017-02-27
Tee
m
u Murtol
a
Dec
o
upl
e
t_input
r
ec from MDM
o
dule
s
commit
|
commitdiff
|
tree
2017-02-27
Teemu Murtola
Remove module reference
s
f
rom t
_
inputrec
commit
|
commitdiff
|
tree
2017-02-10
T
e
emu
M
urtola
Check log output in thread a
f
finity tests
commit
|
commitdiff
|
tree
2017-02-09
Teemu M
u
rtol
a
Multi-
r
ank thread affinity tests
commit
|
commitdiff
|
tree
2017-02-09
Teemu Murtola
Document key-value tr
e
e transforms
and improve checks
commit
|
commitdiff
|
tree
2017-02-09
Te
e
m
u
Murto
l
a
Overvi
e
w doc
u
mentation
for new
m
dp inpu
t
scheme
commit
|
commitdiff
|
tree
2017-02-08
Te
e
mu Murtola
G
eneric
K
eyVa
l
ueT
r
ee br
o
adcast
commit
|
commitdiff
|
tree
2017-02-08
T
eemu Murt
o
l
a
G
eneric
g
mx check
i
mplement
a
tion with KeyV
a
lueTree
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
Gener
i
c gmx
d
ump impleme
n
tation
f
or KeyV
a
lue
T
ree
commit
|
commitdiff
|
tree
2017-02-08
T
eemu
M
u
rt
o
la
Generic t
p
r handling for
e
lectric field
commit
|
commitdiff
|
tree
2016-12-12
Tee
m
u Murtola
Merg
e
b
r
a
nch
re
l
e
a
se
-
2
016
commit
|
commitdiff
|
tree
2016-12-10
Teemu Mur
t
ola
Min
o
r C
M
ake cleanup & moderniz
a
tion
commit
|
commitdiff
|
tree
2016-12-10
Te
e
mu Murtola
Build scripts
f
o
r
improved release workflow
commit
|
commitdiff
|
tree
2016-12-08
Teemu
M
urtola
Fix and clean up h
a
ndl
i
ng of some
l
inking
commit
|
commitdiff
|
tree
2016-12-08
Teemu Murtola
Fix p
o
ssible m
e
mory er
r
or with lo
n
g selections
commit
|
commitdiff
|
tree
2016-12-07
Teemu Murtola
Fi
x
use of position v
a
r
i
able
s
w
i
th plus/merge
commit
|
commitdiff
|
tree
2016-11-29
Teemu Murt
o
la
Additi
o
nal selec
t
io
n
help
commit
|
commitdiff
|
tree
2016-11-06
Tee
m
u Mur
t
ola
A
d
d selection-enab
l
ed gmx traj
commit
|
commitdiff
|
tree
2016-10-30
Teemu Murtola
Support
norma
l
izi
n
g val
u
es in KeyValueTree
commit
|
commitdiff
|
tree
2016-10-24
Te
e
mu Murtola
E
l
e
c
tric field mdp parsing us
i
ng options
commit
|
commitdiff
|
tree
2016-10-24
Teem
u
Murtola
S
uppo
r
t for default
v
a
lu
e
s from
Opt
i
ons to KeyValueTre
e
commit
|
commitdiff
|
tree
2016-10-21
Teemu Murt
o
la
Clean up o
p
tion (default) value access
commit
|
commitdiff
|
tree
2016-10-19
Tee
m
u Murto
l
a
Serialization
s
u
p
p
ort
f
or Key
V
alue
T
r
ee
commit
|
commitdiff
|
tree
2016-10-17
Teemu Mu
r
t
o
la
Su
p
port opti
o
n assignment from diff
e
rent pre
c
i
s
ion
commit
|
commitdiff
|
tree
2016-10-17
Teem
u
Murtola
Add sup
p
o
rt
f
or reading
values from
r
efd
a
ta
commit
|
commitdiff
|
tree
2016-10-16
Teemu Murto
l
a
Im
p
roved
error
h
andling for
K
ey
V
alueT
r
ee
operations
commit
|
commitdiff
|
tree
2016-10-15
Tee
m
u Murto
l
a
I
mproved
address
s
an
i
tize
r
s
u
pport
commit
|
commitdiff
|
tree
2016-10-15
Teemu Mur
t
o
l
a
Work arou
n
d memo
r
y
l
e
ak in t_state
commit
|
commitdiff
|
tree
2016-10-15
Tee
m
u Murtola
Fix most memory
leaks recen
t
l
y
introduced
commit
|
commitdiff
|
tree
2016-10-14
Teemu Murtola
Use gmx_mt
o
p_t in se
l
ec
t
ions, part 3
commit
|
commitdiff
|
tree
2016-10-14
Teemu Murto
l
a
U
se gmx_mt
o
p_t in
s
elections, part
2
commit
|
commitdiff
|
tree
2016-10-13
Teemu Murtola
Use g
m
x_m
t
o
p
_
t
in sel
e
cti
o
ns, part 2
commit
|
commitdiff
|
tree
2016-10-13
Teemu Murtola
Add back-m
a
p
p
i
n
g to
K
eyValueTreeTra
n
sform
commit
|
commitdiff
|
tree
2016-10-13
Teemu Murtola
Upd
a
te bundled T
N
G
commit
|
commitdiff
|
tree
2016-10-13
Tee
m
u Murtola
Getter for mapped
p
aths
from KeyVa
l
ueTreeTransfor
m
commit
|
commitdiff
|
tree
2016-10-12
Teemu Murtola
Use g
m
x_
m
top_t in
s
e
lections
,
part
1
commit
|
commitdiff
|
tree
2016-10-12
Teemu Murtola
Wrap sel
.
method evaluat
i
on param
e
ters
t
o struc
t
commit
|
commitdiff
|
tree
2016-10-11
Teem
u
Murtola
S
u
ppo
r
t concurrent t_
t
opology and gmx_mtop_t
u
se
commit
|
commitdiff
|
tree
2016-10-11
Teemu Murt
o
la
Che
c
k atom ma
s
s av
a
ilab
i
lity in selections
commit
|
commitdiff
|
tree
2016-10-05
Teemu Murtola
Supp
o
rt diffe
r
ent key
matching
i
n Key
V
alueTr
e
e
T
ransform
commit
|
commitdiff
|
tree
2016-10-05
T
e
e
m
u
M
u
rtol
a
Merge "Merge
b
r
anch
r
elease-5-1 into release-
2
016"
.
.
.
commit
|
commitdiff
|
tree
2016-09-24
T
eemu
M
urtola
Fix default nice
lev
e
l in mdru
n
-
only bu
i
ld
commit
|
commitdiff
|
tree
2016-09-12
Teemu M
u
rtola
F
ix
v
a
rious
m
e
mory lea
k
s
commit
|
commitdiff
|
tree
2016-09-07
Teemu Murto
l
a
Clean up CTest
test management
commit
|
commitdiff
|
tree
2016-08-30
T
e
e
mu Murtola
Basi
c
support for transformin
g
KeyValueTrees
commit
|
commitdiff
|
tree
2016-08-27
Te
e
mu Murtola
Supp
o
r
t
K
ey
V
a
l
ue
T
ree objects
i
n ref
d
a
ta
commit
|
commitdiff
|
tree
2016-08-18
T
eemu M
u
rtola
C
hec
k
for
unused re
f
data values
commit
|
commitdiff
|
tree
2016-08-18
Teemu Murtola
Generic st
r
uct
u
red key
-
v
a
l
ue tree for options
commit
|
commitdiff
|
tree
2016-08-18
Teemu
M
urtol
a
Suppor
t
f
o
r non-
s
tring opti
o
n va
l
u
e
assignment
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtol
a
Bas
i
c support for array-of-s
t
r
ucts
i
n o
p
tions
commit
|
commitdiff
|
tree
2016-08-17
Teemu
M
ur
t
o
l
a
Generalize and s
i
m
p
l
if
y
option value s
t
orage
commit
|
commitdiff
|
tree
2016-08-17
Te
e
m
u
M
u
rtola
Generalize option section internals
commit
|
commitdiff
|
tree
2016-08-17
Tee
m
u
M
urt
o
la
Reimplement subse
c
t
i
ons in Options
commit
|
commitdiff
|
tree
2016-08-04
T
e
e
m
u Mu
r
tola
F
ix/imp
r
o
ve doc link
s
in te
m
p
l
ate/README
commit
|
commitdiff
|
tree
2016-08-01
Teemu Murtol
a
F
u
nction to
split de
l
i
m
i
ted strings
commit
|
commitdiff
|
tree
2016-07-14
Teemu M
u
r
tola
U
s
e ne
w
er gcc for coverage
commit
|
commitdiff
|
tree
2016-07-07
Te
e
m
u
M
u
r
tola
Change h
a
n
dling for missing releng doc
s
commit
|
commitdiff
|
tree
2016-06-30
Teemu Murtola
Ex
t
ract string parsing routines to ut
i
l
ity
commit
|
commitdiff
|
tree
2016-06-28
Teemu Murtola
Split up co
m
pare
.
*
commit
|
commitdiff
|
tree
2016-06-27
Te
e
mu Mu
r
tola
Factory
f
or cr
e
ating t_inputre
c
commit
|
commitdiff
|
tree
2016-06-01
Teemu Murtola
Use C++ rep
l
acement
f
or m
d
_logging
.
*
commit
|
commitdiff
|
tree
2016-06-01
T
e
emu Murtola
Basic C++ logging interface
commit
|
commitdiff
|
tree
2016-05-31
Teemu Mur
t
ola
Improve make_
n
dx help text
commit
|
commitdiff
|
tree
2016-05-25
Teemu M
u
rtola
Sup
p
ort for r
e
al MP
I
unit tests
commit
|
commitdiff
|
tree
2016-05-24
T
eemu
M
urto
l
a
Tests
f
o
r
s
ingle-ra
n
k
thread a
f
f
i
n
ity s
e
tting
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murtola
Pass number of local th
r
eads to thread affinity
commit
|
commitdiff
|
tree
2016-05-21
Te
e
mu Murtola
A
l
l
ow
c
reatin
g
mock
H
a
rdwareTop
o
l
o
g
y
obj
e
cts
commit
|
commitdiff
|
tree
2016-05-21
T
eem
u
Murtola
U
s
e
o
n
ly HardwareTopology for threa
d
affinity
commit
|
commitdiff
|
tree
2016-05-21
Teemu Mur
t
ola
Me
r
g
e
b
ranch release-20
1
6
commit
|
commitdiff
|
tree
2016-05-21
Teem
u
Murtola
Bump vers
i
o
n
numbe
r
s for
2
0
17
d
evelo
p
ment
commit
|
commitdiff
|
tree
2016-05-17
Tee
m
u Murto
l
a
Fix s
o
m
e thre
a
d
affi
n
i
t
y
case
s
commit
|
commitdiff
|
tree
2016-05-10
Teemu Murtola
Additi
o
n
al J
e
nkins d
o
cumentation
commit
|
commitdiff
|
tree
2016-05-10
Teemu Murt
o
la
Include
releng documentation to deve
l
ope
r
guide
commit
|
commitdiff
|
tree
2016-05-08
Teemu
M
urtol
a
S
u
ppo
r
t for OpenCL C
I
bu
i
lds
commit
|
commitdiff
|
tree
2016-05-05
Teemu Mu
r
tol
a
Merge branch release-5-
1
commit
|
commitdiff
|
tree
2016-05-05
Teemu Murtola
Make Sph
i
nx bu
i
ld
s
ilent
f
or versio
n
1
.
3+
commit
|
commitdiff
|
tree
2016-05-03
Te
e
mu M
u
r
t
ola
Mark optional input/output files in gmx
or
d
e
r
commit
|
commitdiff
|
tree
2016-04-28
Teemu Murtola
U
se HardwareTo
p
ology to
s
et n
t
hreads_hw_
a
v
ail
commit
|
commitdiff
|
tree
2016-04-28
Teemu Murtola
Remove gmx_hw_info_t::ncore
commit
|
commitdiff
|
tree
2016-04-27
Teemu
M
urtola
I
m
prove
rel
e
ase workflow testing
commit
|
commitdiff
|
tree
2016-04-27
Teemu Murto
l
a
Disable multi
p
le ranks for non-MPI unit te
s
ts
commit
|
commitdiff
|
tree
2016-04-27
Te
e
mu Murtola
Fix iss
u
es wit
h
failing thread affinity set
t
ing
commit
|
commitdiff
|
tree
next