repo.or.cz
/
gromacs
/
AngularHB.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Fixes for Solaris
2017-04-06
Teemu M
u
rtola
Fix
memory acc
e
ss issues in gmx
s
olvate
commit
|
commitdiff
|
tree
2017-03-11
Teemu Murt
o
la
Update copyr
i
ght year for g
m
x -version
commit
|
commitdiff
|
tree
2016-12-10
Teemu M
u
rtola
B
u
ild sc
r
ipts for impro
v
ed
r
ele
a
se workflow
commit
|
commitdiff
|
tree
2016-12-08
Teemu M
u
rtola
Fix p
o
ssi
b
le m
e
mory err
o
r wi
t
h
long
sel
e
ctio
n
s
commit
|
commitdiff
|
tree
2016-12-07
Teemu Murtola
Fix use of position v
a
riables with plus/me
r
ge
commit
|
commitdiff
|
tree
2016-11-29
Teemu Murtola
Addi
t
ional sel
e
ctio
n
help
commit
|
commitdiff
|
tree
2016-10-05
T
eemu
Murtola
Merge "Merge branch relea
s
e
-5
-
1
into
release-201
6
"
.
.
.
commit
|
commitdiff
|
tree
2016-09-24
T
e
e
m
u Murto
l
a
Fix default nice l
e
vel in
mdrun-
o
nly build
commit
|
commitdiff
|
tree
2016-08-04
Te
e
m
u
Murtola
Fix/imp
r
ove doc links in template/READ
M
E
commit
|
commitdiff
|
tree
2016-07-07
T
eemu
M
urtola
Change
h
andlin
g
for missing
releng
d
ocs
commit
|
commitdiff
|
tree
2016-05-31
Teemu Murto
l
a
Improv
e
make
_
nd
x
help
t
ex
t
commit
|
commitdiff
|
tree
2016-05-17
Tee
m
u Murto
l
a
Fix some thread affinit
y
cases
commit
|
commitdiff
|
tree
2016-05-10
Te
e
mu Murtola
Additional Jenkins
d
o
cumentation
commit
|
commitdiff
|
tree
2016-05-10
Teemu Murt
o
l
a
In
c
lude re
l
eng docum
e
nta
t
ion to dev
e
lo
p
er gu
i
de
commit
|
commitdiff
|
tree
2016-05-08
Teemu Murtola
S
upport
for OpenCL
CI
builds
commit
|
commitdiff
|
tree
2016-05-05
Teemu Murtola
Me
r
ge bra
n
ch relea
s
e-5-1
commit
|
commitdiff
|
tree
2016-05-05
Te
e
mu
M
urtola
Make Sphinx build silen
t
for v
e
rsion
1
.
3+
commit
|
commitdiff
|
tree
2016-05-03
Teemu Murt
o
la
Mark optional in
p
ut/out
p
u
t files in gmx or
d
er
commit
|
commitdiff
|
tree
2016-04-28
Teem
u
Murtola
Use Ha
r
dwareTop
o
lo
g
y to set nth
r
eads_hw_av
a
il
commit
|
commitdiff
|
tree
2016-04-28
Tee
m
u Murt
o
la
Remove gmx_hw_info_t
:
:ncore
commit
|
commitdiff
|
tree
2016-04-27
Teemu Murtola
Improve release w
o
rkfl
o
w tes
t
ing
commit
|
commitdiff
|
tree
2016-04-27
T
e
emu Murtol
a
Disable
m
ultip
l
e ran
k
s for
n
on-MPI
u
nit tests
commit
|
commitdiff
|
tree
2016-04-27
Teemu Murt
o
la
Fix issues with failing thre
a
d
a
f
finity sett
i
n
g
commit
|
commitdiff
|
tree
2016-04-27
Teemu Murtola
Merge "M
e
rg
e
branch rele
a
se-5-
1
"
commit
|
commitdiff
|
tree
2016-04-18
T
eemu Murtola
Make thread affi
n
it
y
fail
u
res always end up in log
commit
|
commitdiff
|
tree
2016-03-30
T
e
e
m
u
Murtola
Make
i
ncludesorter
.
py work with Doxygen 1
.
8
.
10+
commit
|
commitdiff
|
tree
2016-03-30
Tee
m
u Mur
t
ola
Fi
x
error re
p
orting f
o
r documentatio
n
build
commit
|
commitdiff
|
tree
2016-03-28
Teemu
M
urto
l
a
More support for
r
elease
w
orkflow
commit
|
commitdiff
|
tree
2016-03-26
Teemu Murto
l
a
Ignore
emp
t
y
G
MX
L
IB
commit
|
commitdiff
|
tree
2016-03-14
T
e
emu Murtola
A
dd tests for empty strings in
r
e
fdata
commit
|
commitdiff
|
tree
2016-03-13
Teemu Mu
r
tola
S
u
ppo
r
t replacing solvent in
insert-
m
olecules
commit
|
commitdiff
|
tree
2016-02-01
T
eemu
Murt
o
la
Handle pdbinfo
in
A
tomsBuilder
commit
|
commitdiff
|
tree
2016-01-28
T
e
emu Murtol
a
U
p
d
ate build scripts to rele
n
g changes
commit
|
commitdiff
|
tree
2016-01-24
Teemu Murtola
Documen
t
lim
i
t
ati
o
ns on 32-b
i
t
L
inux
commit
|
commitdiff
|
tree
2016-01-12
Teemu Murto
l
a
Make GMX_MPI always defi
n
ed to 0/1
commit
|
commitdiff
|
tree
2016-01-12
Te
e
mu
M
u
r
t
ola
M
o
ve fla
g
s
o
ut of t_trxfr
a
me
commit
|
commitdiff
|
tree
2016-01-12
T
e
emu M
u
r
tola
Remov
e
historic
a
l times from t_trxfr
a
me
commit
|
commitdiff
|
tree
2016-01-12
Teem
u
Murtola
Support passing
t
arball MD5 for
webpage build
commit
|
commitdiff
|
tree
2016-01-12
Teemu Murtola
R
e
m
o
v
e
vmdplugin from t_trxf
r
ame
commit
|
commitdiff
|
tree
2016-01-11
Teem
u
Mu
r
t
o
l
a
Convert m
o
re c
o
nfig
.
h d
e
fines
t
o 0/
1
commit
|
commitdiff
|
tree
2016-01-10
Teemu M
u
r
t
ola
Support trajectory
a
nalysis with any
atom subset
commit
|
commitdiff
|
tree
2016-01-10
T
e
emu M
u
rto
l
a
Supp
o
rt f
r
ames
w
it
h
a
tom s
u
b
sets in se
l
ections
commit
|
commitdiff
|
tree
2016-01-10
Te
e
mu
M
urtola
Support
a
r
bitrary subs
e
t t
r
a
j
e
c
to
r
ies i
n
p
os
c
alc
.
*
commit
|
commitdiff
|
tree
2016-01-10
Tee
m
u Mur
t
ol
a
Make file name
s
in
f
a
t
al error
mess
a
ges m
o
re robust
commit
|
commitdiff
|
tree
2016-01-10
Teemu Murtola
D
o not wa
r
n abo
u
t
missing
O
penMP with
GMX_GPU=OFF
commit
|
commitdiff
|
tree
2016-01-10
Teemu Murt
o
la
Mo
r
e conf
i
g
.
h
m
acros to 0/1
commit
|
commitdiff
|
tree
2016-01-10
Te
e
mu M
u
r
t
ola
Convert
some c
o
n
f
ig
.
h macros to use 0/1
commit
|
commitdiff
|
tree
2016-01-05
Teemu Murto
l
a
Up
d
ate pack
a
ging build
commit
|
commitdiff
|
tree
2015-12-31
Tee
m
u
Murtola
Rep
o
rt used d
e
fines in check-s
o
urce
commit
|
commitdiff
|
tree
2015-12-29
T
e
e
mu Mu
r
tola
P
ackagin
g
build script for
we
b
site
commit
|
commitdiff
|
tree
2015-12-29
Te
e
mu Murto
l
a
Reduce inputrec
.
h dependenci
e
s
commit
|
commitdiff
|
tree
2015-12-27
Tee
m
u
M
u
rtola
Improv
e
te
x
t writing in
h
elp output
commit
|
commitdiff
|
tree
2015-12-27
Teemu Murto
l
a
Sou
r
c
e packaging wi
t
h new rele
n
g
commit
|
commitdiff
|
tree
2015-12-27
T
e
e
mu Murtola
Further v
e
c
.
h cle
a
nup
commit
|
commitdiff
|
tree
2015-12-26
T
e
e
mu Murtola
Clean up vec
.
h
commit
|
commitdiff
|
tree
2015-12-24
Teemu Murtola
Add functional
i
ty to TextWriter
commit
|
commitdiff
|
tree
2015-12-20
Teemu Mur
t
o
l
a
F
ix
most warnin
g
s w
i
th Doxygen 1
.
8
.
1
0
commit
|
commitdiff
|
tree
2015-12-19
Te
e
mu
Murtola
U
p
date
versioning for n
e
w scheme
commit
|
commitdiff
|
tree
2015-12-16
Teemu Murt
o
la
Move calcgrid
.
* to
f
ft/
commit
|
commitdiff
|
tree
2015-12-15
Teemu Murtola
Mov
e
main
.
*
,
splitter
.
*, gmx_omp_nthreads
.
*
t
o md
l
ib
commit
|
commitdiff
|
tree
2015-12-15
Teemu Murtola
M
ove readinp
.
* and warnin
p
.
* to f
i
leio/
commit
|
commitdiff
|
tree
2015-12-15
T
e
emu Mu
r
t
o
la
Mo
v
e
h
a
rdware detection to hardware/
commit
|
commitdiff
|
tree
2015-12-15
T
e
emu
Murtola
Mo
v
e
some
m
drun cod
e
out of gmxl
i
b
/
commit
|
commitdiff
|
tree
2015-12-15
Teemu
M
ur
t
ola
Mov
e
gpu_utils etc
.
ou
t
of gmxlib
commit
|
commitdiff
|
tree
2015-12-14
T
e
emu
Murtol
a
I
n
s
ta
l
l b
a
s
ev
e
rsion
.
h
commit
|
commitdiff
|
tree
2015-12-12
Teemu Murtola
Create
s
ep
a
rate module for trajector
y
data
commit
|
commitdiff
|
tree
2015-12-12
Teemu M
u
rtola
Move
d
i
sre
.
* and orire
s
.
* to listed-forces/
commit
|
commitdiff
|
tree
2015-12-12
T
e
emu Mur
t
ola
Move ifunc
.
* to topo
l
o
g
y/
commit
|
commitdiff
|
tree
2015-12-12
Teemu Mu
r
t
ola
Move put_ato
m
s
_
in_box_omp()
to sim_util
.
*
commit
|
commitdiff
|
tree
2015-12-12
Teemu Murt
o
la
Remov
e
topo
l
ogy
-> fil
e
io
depend
e
nc
y
commit
|
commitdiff
|
tree
2015-12-11
T
e
e
mu Murtola
Me
r
g
e
"Merge
bra
n
c
h
'origin/release-5-1'"
commit
|
commitdiff
|
tree
2015-12-09
Teem
u
Murtola
Split txtdump
.
*, part 2
commit
|
commitdiff
|
tree
2015-12-09
Teemu Murtola
Split txtdump
.
*,
p
a
r
t 1
commit
|
commitdiff
|
tree
2015-12-03
Teemu Murtola
M
o
v
e strdb
.
* to utili
t
y/
commit
|
commitdiff
|
tree
2015-12-03
Teemu Murtola
Move fil
e
nm
.
* to commandline
commit
|
commitdiff
|
tree
2015-12-02
Tee
m
u Murt
o
la
Split f
i
lenm
.
*
commit
|
commitdiff
|
tree
2015-11-30
Teemu Murtola
Remove topolog
y
-> mdtypes
depende
n
cy
commit
|
commitdiff
|
tree
2015-11-30
T
e
e
m
u Murtola
Remove obsolete refe
r
e
n
ces to legac
y
heade
r
s/
commit
|
commitdiff
|
tree
2015-11-30
Teem
u
Mur
t
ol
a
Merge re
m
a
inin
g
legacyheaders/types/ to
m
dtyp
e
s/
commit
|
commitdiff
|
tree
2015-11-30
Teemu
Murtol
a
Move if
u
nc
.
h
t
o gmxlib
commit
|
commitdiff
|
tree
2015-11-30
Teemu Murtola
Mov
e
force_flags
.
h to md
l
ib/
commit
|
commitdiff
|
tree
2015-11-30
Teemu Mu
r
t
ola
libgromacs CMake source fi
l
e
management cleanup
commit
|
commitdiff
|
tree
2015-11-30
Teemu
M
urtola
Move hardware info structs to hardwar
e
/
commit
|
commitdiff
|
tree
2015-11-30
T
eemu
M
u
r
tola
Clean
u
p
some
sel
e
cti
o
n
c
ode
commit
|
commitdiff
|
tree
2015-11-23
T
e
emu Murtola
Move prec
i
s
i
on det
e
ction symbo
l
s to basev
e
rsi
o
n
.
*
commit
|
commitdiff
|
tree
2015-11-22
Teemu M
u
r
tol
a
Remove c
o
rre
l
ationfunctions -> mdtypes d
e
pendency
commit
|
commitdiff
|
tree
2015-11-21
Teem
u
Murtola
Use v
.
da
t
a() instead o
f
&v[
0
] fo
r
C interop
commit
|
commitdiff
|
tree
2015-11-15
T
e
emu Murto
l
a
Add En
u
mOption with
s
u
p
port for pro
p
er enum typ
e
s
commit
|
commitdiff
|
tree
2015-11-15
Teemu Murtola
Fix reporti
n
g
of unus
e
d cycle suppressions
commit
|
commitdiff
|
tree
2015-11-14
T
e
emu Murtola
Mov
e
network
.
h to
g
mxlib/
commit
|
commitdiff
|
tree
2015-11-14
Teemu Murto
l
a
M
ove gmx_ga2la
.
h
t
o
domdec/
commit
|
commitdiff
|
tree
2015-11-13
Teem
u
Murtola
Rem
o
ve t_commrec
d
epende
n
cy
f
rom cmdlinein
i
t
.
cpp
commit
|
commitdiff
|
tree
2015-11-13
Te
e
mu Murto
l
a
Move gmx_det
e
ct
_
hardwar
e
.
h to gmxlib/
commit
|
commitdiff
|
tree
2015-11-13
Teemu Murt
o
la
M
o
ve nonbond
e
d
.
h to gmxlib/nonbon
d
ed
/
commit
|
commitdiff
|
tree
2015-11-13
T
eemu Mur
t
ol
a
Let users bu
i
l
d
with
o
ut comp
i
l
e
r warn
i
ngs
commit
|
commitdiff
|
tree
2015-11-13
Teemu
M
urtola
Merge types/
n
sgrid
.
h into
nsgrid
.
h
commit
|
commitdiff
|
tree
2015-11-13
Teemu Murtola
Rep
o
rt unused cycle su
p
pressi
o
ns
commit
|
commitdiff
|
tree
2015-11-11
Teemu Murtola
S
uppo
r
t inspecting
e
xpected error
m
e
s
sages in tests
commit
|
commitdiff
|
tree
2015-11-11
T
e
emu
Murtola
R
e
move buil
d
system
for boost
commit
|
commitdiff
|
tree
2015-11-10
Teemu Murtola
Remove remai
n
ing b
o
ost dependenc
i
e
s
commit
|
commitdiff
|
tree
next