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Fix reporting of unused cycle suppressions
2015-11-15
Teemu M
u
r
t
o
la
Fix r
e
porting
of unused cycle
s
u
pp
r
essions
commit
|
commitdiff
|
tree
2015-11-14
Teemu Mur
t
ola
M
ove network
.
h to gmxlib/
commit
|
commitdiff
|
tree
2015-11-14
Teemu Murtola
Mo
v
e
gmx_ga2la
.
h to domdec/
commit
|
commitdiff
|
tree
2015-11-13
Teemu Murtola
R
e
move t_commrec dependency from cmdlineinit
.
c
pp
commit
|
commitdiff
|
tree
2015-11-13
Teemu M
u
rtola
M
ove gmx_detec
t
_hardware
.
h to g
m
xlib
/
commit
|
commitdiff
|
tree
2015-11-13
Teemu Murtola
Move
n
onbonded
.
h to gmxlib/nonbonded/
commit
|
commitdiff
|
tree
2015-11-13
T
eemu
Murtola
Let
u
sers
build without compiler
w
arnings
commit
|
commitdiff
|
tree
2015-11-13
Teemu Mu
r
to
l
a
Merge types/
n
sg
r
id
.
h into n
s
grid
.
h
commit
|
commitdiff
|
tree
2015-11-13
Teemu
Murtola
Repor
t
u
n
use
d
cycle
s
uppressions
commit
|
commitdiff
|
tree
2015-11-11
T
e
emu Murtola
Support
i
nspe
c
t
i
n
g
e
xp
e
cted err
o
r messages
i
n
tests
commit
|
commitdiff
|
tree
2015-11-11
T
e
emu Murto
l
a
Re
m
ove
b
uild
s
ys
t
em for boos
t
commit
|
commitdiff
|
tree
2015-11-10
Teemu Murtola
Rem
o
ve remaining boo
s
t depe
n
dencies
commit
|
commitdiff
|
tree
2015-11-07
Teem
u
Murt
o
la
R
e
m
o
ve mi
s
c
.
copyrite
.
h fun
c
tions
commit
|
commitdiff
|
tree
2015-11-07
Tee
m
u Mu
r
tola
M
ove
gmx_omp_
n
threads
.
h
a
nd gmx_thread_affin
i
ty
.
h to
.
.
.
commit
|
commitdiff
|
tree
2015-11-06
Teemu Murtola
Move PBC enum
s
to pb
c
.
*
commit
|
commitdiff
|
tree
2015-11-06
Teemu M
u
rtola
Move ns
.
h a
n
d nsgrid
.
h t
o
mdlib/
commit
|
commitdiff
|
tree
2015-11-06
T
e
emu Murtola
M
o
ve
f
orce
.
h a
n
d vsite
.
h into mdlib/
commit
|
commitdiff
|
tree
2015-11-05
Teemu
M
urtola
Mo
v
e types/r
g
b
.
h
t
o
f
il
e
io/
commit
|
commitdiff
|
tree
2015-11-04
Teem
u
Murtola
Merge "Merg
e
branch release-5-1"
commit
|
commitdiff
|
tree
2015-11-03
Teemu M
u
rtola
Update bu
i
ld s
c
r
i
pts
to
matc
h
releng refac
t
ori
n
g
commit
|
commitdiff
|
tree
2015-11-02
Teemu Murt
o
la
Replace boost::exception_ptr with std
:
:excepti
o
n_ptr
commit
|
commitdiff
|
tree
2015-11-01
Teemu M
u
r
t
o
la
Remove remaining scoped_ptrs
commit
|
commitdiff
|
tree
2015-11-01
T
eemu Murt
o
la
R
e
move mor
e
scoped_ptr uses
commit
|
commitdiff
|
tree
2015-10-28
Teem
u
Murtola
Remove unused Traj
e
ctoryAna
l
ysisModule
code
commit
|
commitdiff
|
tree
2015-10-27
T
eemu Murtola
Addi
t
io
n
al c
h
ecks fo
r
selectio
n
input
commit
|
commitdiff
|
tree
2015-10-26
Teemu
Murtola
R
e
move s
o
me boost:
:
s
coped_ptr u
s
es
commit
|
commitdiff
|
tree
2015-10-25
Teemu Murtola
F
ix
missing h
e
lp text
for
t
rajectory analysis tools
commit
|
commitdiff
|
tree
2015-10-24
Teemu Mu
r
t
ola
Change
s
om
e
shar
e
d_ptrs back to unique_ptr
commit
|
commitdiff
|
tree
2015-10-22
Teem
u
Murtola
A
dditiona
l
no
r
m
a
l
izatio
n
options for gmx rdf
commit
|
commitdiff
|
tree
2015-10-22
T
eemu Mu
r
t
o
l
a
Use incl
u
de_direct
o
ries(S
Y
STEM
.
.
.
) co
n
sistently
commit
|
commitdiff
|
tree
2015-10-22
Teemu M
u
rtola
Clean up and impr
o
ve fatal
error handling
commit
|
commitdiff
|
tree
2015-10-19
Teemu Murtola
Split
Enu
m
IntOpti
o
n from StringOption
commit
|
commitdiff
|
tree
2015-10-14
Te
e
mu Murtola
Make bash
c
ompletions work wit
h
b
a
sh --pos
i
x
commit
|
commitdiff
|
tree
2015-10-13
Tee
m
u Murtol
a
Impr
o
v
e do
c
ument
a
t
i
on and tests fo
r
ref
d
ata
commit
|
commitdiff
|
tree
2015-10-12
Teemu Murtola
Hide
im
p
lem
e
ntation det
a
ils from cm
d
liner
u
nner
.
h
commit
|
commitdiff
|
tree
2015-10-12
T
eem
u
Murtola
Improve
g
mx
s
a
s
a
tests
a
n
d
clea
n
up
-
or handling
commit
|
commitdiff
|
tree
2015-10-11
Teemu
Murtola
Remove
obsolete build scripts
commit
|
commitdiff
|
tree
2015-10-08
Teemu Murtola
R
e
m
ove unused
e
r
r
or handling co
d
e
commit
|
commitdiff
|
tree
2015-10-05
Tee
m
u Murtola
Make u
s
ing C++ type with snew() a compil
e
r er
r
or
commit
|
commitdiff
|
tree
2015-10-05
Teemu Murtola
More detailed
e
rror message
fo
r
missi
n
g
files
commit
|
commitdiff
|
tree
2015-10-03
Teem
u
Murt
o
la
S
i
lence Python
d
etection on CMake rerun
commit
|
commitdiff
|
tree
2015-10-03
Teemu Mu
r
to
l
a
Merge branch re
l
ease-5-1 into ma
s
t
er
commit
|
commitdiff
|
tree
2015-10-03
Teemu
M
urt
o
l
a
Minor c
l
e
a
nup
i
n
gmx insert-mo
l
ecules
commit
|
commitdiff
|
tree
2015-10-03
Teemu Murtola
Use AtomsBuilde
r
in gmx ins
e
rt-
m
olecules
commit
|
commitdiff
|
tree
2015-10-03
T
eem
u
Murtola
U
se mor
e
st
d
:
:
v
e
c
tor for
solvate
/
insert-m
o
lecu
l
es
commit
|
commitdiff
|
tree
2015-10-03
Teemu Murto
l
a
Us
e
st
d
:
:
ve
c
tor
for makeExclusion
D
i
stances()
commit
|
commitdiff
|
tree
2015-10-03
Teemu Murtola
Remov
e
S
e
lect
i
onOptionBehavio
r
:
:
useDef
a
ult
G
roups
commit
|
commitdiff
|
tree
2015-10-03
Tee
m
u Murtol
a
Mov
e
reusable code into SelectionOptionBe
h
avior
commit
|
commitdiff
|
tree
2015-10-03
Teemu Murtola
Add --ref-data update-changed
commit
|
commitdiff
|
tree
2015-10-03
T
e
e
m
u
Murtola
Make
cmdlinerunner
.
cpp u
s
e ICommandLineO
p
tionsModul
e
commit
|
commitdiff
|
tree
2015-10-02
Teemu
Murtola
Fix -
s
eltype option fo
r
C++ tools
commit
|
commitdiff
|
tree
2015-10-02
Teemu Murtola
More flexible API for xvg tes
t
ing
commit
|
commitdiff
|
tree
2015-10-02
T
eemu Murto
l
a
M
o
re h
e
ade
r
s out o
f
legacy
h
ead
e
r
s
commit
|
commitdiff
|
tree
2015-10-01
Teemu Murtola
Enable tim
e
unit
a
n
d
s
elections i
n
ICommand
L
ineOptionsModu
l
e
commit
|
commitdiff
|
tree
2015-10-01
Teemu
M
urtola
Co
n
vert nb_free_energy
.
c
to C++
commit
|
commitdiff
|
tree
2015-10-01
Teemu Murtola
Move
md
o
utf and trajectory_writ
i
ng to mdlib
commit
|
commitdiff
|
tree
2015-09-27
Teemu Murtola
Re
m
ove unnecess
a
ry includes from le
g
acyheaders/
commit
|
commitdiff
|
tree
2015-09-27
Tee
m
u Murtola
M
ove v
i
ew
i
t
.
*
t
o
c
ommand
l
ine/
commit
|
commitdiff
|
tree
2015-09-27
Teemu Murtola
More headers out of le
g
acyheaders
commit
|
commitdiff
|
tree
2015-09-26
Teemu Mu
r
t
o
l
a
Remove types
/
m
emb
e
dt
.
h
commit
|
commitdiff
|
tree
2015-09-25
T
eemu Murt
o
la
More l
e
ga
c
yheade
r
s to
g
mxlib/mdl
i
b
commit
|
commitdiff
|
tree
2015-09-25
Teemu Murtola
Mo
v
e
s
ome
h
ead
e
rs from lega
c
yhea
d
e
r
s to
mdli
b
/gmxlib
commit
|
commitdiff
|
tree
2015-09-25
T
eemu Murtola
R
e
mo
v
e
types/shellfc
.
h
commit
|
commitdiff
|
tree
2015-09-25
T
e
emu Murtola
R
e
move some extern "C" declarations
commit
|
commitdiff
|
tree
2015-09-22
Te
e
mu Murtola
Move oenv
.
* to fileio/
commit
|
commitdiff
|
tree
2015-09-22
Te
e
mu Murtola
Reduce use of outp
u
t_env_t from types/oe
n
v
.
h
commit
|
commitdiff
|
tree
2015-09-19
Teemu
Murtola
Convert
c
alc_ve
r
letbuf
.
c to
C
++
commit
|
commitdiff
|
tree
2015-09-18
Te
e
mu M
u
rtola
Re
m
ove unused mac
r
os
.
h includes (fix buil
d
)
commit
|
commitdiff
|
tree
2015-09-18
Teemu Murtola
Mov
e
asi
z
e() from macros
.
h and reduce use of macros
.
h
commit
|
commitdiff
|
tree
2015-09-18
T
eemu Murto
l
a
Creat
e
topology/
a
tom_id
.
h
commit
|
commitdiff
|
tree
2015-09-11
Teemu Mu
r
tola
B
uild scr
i
p
t
for coverage
commit
|
commitdiff
|
tree
2015-09-10
Teemu Murtola
Run clang analysis for test code
commit
|
commitdiff
|
tree
2015-09-08
Teemu Murt
o
la
Improv
e
gmx sasa error message
commit
|
commitdiff
|
tree
2015-09-08
Teemu M
u
rtola
Refactor referenc
e
data checking
commit
|
commitdiff
|
tree
2015-09-08
Teemu M
u
rtola
Minor
b
uild scr
i
pt improvem
e
n
ts
commit
|
commitdiff
|
tree
2015-09-08
Tee
m
u Murtola
Reduce coupling
b
etween refdata and libxml2
commit
|
commitdiff
|
tree
2015-09-08
Teemu Mur
t
o
la
Refactor
TestRefere
n
ceD
a
ta lifet
i
me m
a
n
a
gement
commit
|
commitdiff
|
tree
2015-09-01
Teemu
M
urtola
Buil
d
scr
i
p
ts for
n
e
w
releng
commit
|
commitdiff
|
tree
2015-08-29
T
e
emu
Murtola
R
e
move
se
p
arate
t
itle p
a
ramet
e
r for read_tps_con
f
()
commit
|
commitdiff
|
tree
2015-08-29
Teemu Murtola
Fix m
e
mory leaks in read_tp
s
_conf() and some
callers
commit
|
commitdiff
|
tree
2015-08-28
Teemu Murtola
R
emo
v
e
read_stx_conf() and get_stx_
c
oordn
u
m(
)
use
s
commit
|
commitdiff
|
tree
2015-08-15
Teemu Murtola
Mer
g
e "Merg
e
bra
n
ch release-5-1 i
n
to master"
commit
|
commitdiff
|
tree
2015-07-25
Teemu Mu
r
tola
Remove Opti
o
ns
:
:isSet()
commit
|
commitdiff
|
tree
2015-07-25
T
e
emu Mur
t
ola
A
dd
b
asic grou
p
ing to
O
ptions
commit
|
commitdiff
|
tree
2015-07-25
Teemu Murtola
Ex
t
r
act IOptionsContainer
f
rom
Options
commit
|
commitdiff
|
tree
2015-07-24
Te
e
mu
M
urtola
Re
n
ame trnio rou
t
ines
commit
|
commitdiff
|
tree
2015-07-24
Tee
m
u Murtola
Rename
t
rnio
.
* to trrio
.
*
commit
|
commitdiff
|
tree
2015-07-23
Teem
u
M
u
rtola
Split espresso I/O rout
i
n
es f
r
om conf
i
o
.
cpp
commit
|
commitdiff
|
tree
2015-07-22
Teemu Mur
t
o
la
Spl
i
t g
r
o I/O
ro
u
tin
e
s
from
c
on
f
io
.
cpp
commit
|
commitdiff
|
tree
2015-07-22
Teemu Murtola
Split g
9
6
I/O
routin
e
s
f
r
om confio
.
cpp
commit
|
commitdiff
|
tree
2015-07-22
Teemu Murtola
M
o
ve
r
ea
d
_tp
s
_conf
(
) t
o
c
onfio
.
h
commit
|
commitdiff
|
tree
2015-07-22
T
e
emu M
u
rto
l
a
A
dd basi
c
t
e
sts f
o
r
reading/writing stru
c
ture
files
commit
|
commitdiff
|
tree
2015-07-20
Tee
m
u Murt
o
l
a
Merg
e
r
elea
s
e-5-0 into relea
s
e-5-1
commit
|
commitdiff
|
tree
2015-07-18
Te
e
mu Murtola
Mov
e
Op
t
ions::
s
etDescription() elsewh
e
r
e
commit
|
commitdiff
|
tree
2015-07-18
Teemu Murtola
Change naming
c
onvention for C++ interf
a
ces
commit
|
commitdiff
|
tree
2015-07-10
T
e
em
u
Murtola
More gmxfi
o
simpl
i
fication
commit
|
commitdiff
|
tree
2015-07-09
Teemu Murtola
F
ix -
d
eff
n
m -multi[dir]
commit
|
commitdiff
|
tree
2015-07-07
T
e
emu M
u
rto
l
a
Wrap u
s
es o
f
th
r
e
ad_mpi
/
mu
t
e
x
.
h
commit
|
commitdiff
|
tree
2015-07-05
Teemu Mur
t
ola
Improv
e
gmx help -
e
xpo
r
t Sphinx rebui
l
d behavi
o
r
commit
|
commitdiff
|
tree
2015-07-04
T
e
emu Murtola
Fix
e
rror wrapp
i
ng
in i
n
teractive selec
t
io
n
i
nput
commit
|
commitdiff
|
tree
next