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fix OpenMP detection on Mac OS broken by a6fee0b
2013-01-13
Te
e
mu Murtola
R
emov
e
unused bfunc
.
h
.
commit
|
commitdiff
|
tree
2013-01-04
Teemu Murtola
Merge "M
i
nor fixes
to g
_
angle
h
elp descrip
t
ion
.
" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-04
Teemu
Murto
l
a
Merge "add an option
t
o not buil
d
the te
m
plate" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-04
T
eemu Murtola
Mer
g
e "Add missing define
s
to PK
G
_C
F
LAGS" into release-4-6
commit
|
commitdiff
|
tree
2013-01-04
Te
e
mu
M
urtola
Me
r
ge "
F
ixed error mess
a
ge for zwitterion r
e
sidues
.
.
.
commit
|
commitdiff
|
tree
2012-12-30
Teem
u
Murtola
Remove no
n
-function
a
l
P
o
werPC
i
nvsqrt
.
commit
|
commitdiff
|
tree
2012-12-30
Teemu Mu
r
tola
Remove sup
e
rf
l
uous
memory
a
l
location
.
commit
|
commitdiff
|
tree
2012-12-21
Teemu Murtola
Make
gmx_cpuid
.
h
self-standing
.
commit
|
commitdiff
|
tree
2012-12-21
Teemu Murtola
Re
m
o
ve non-fun
c
t
i
onal compi
l
e
r
overr
i
de for Ma
c
O
SX
.
commit
|
commitdiff
|
tree
2012-12-17
T
e
emu Murto
l
a
Fix li
c
ense
t
ext printed by programs
.
commit
|
commitdiff
|
tree
2012-12-06
Teemu Murtola
Fix build of template and other
externa
l
code
.
commit
|
commitdiff
|
tree
2012-11-25
Teemu
M
u
r
t
o
la
Exte
n
de
d
b
uild infor
m
ation outpu
t
and reference build
.
.
.
commit
|
commitdiff
|
tree
2012-11-10
T
e
emu Mu
r
to
l
a
Remove ob
s
olete GMX_THREAD_S
H
M_FDECOMP
.
commit
|
commitdiff
|
tree
2012-09-27
Teemu Murtola
M
e
rge "F
i
x insolid
a
ngle selections near
p
oles
.
" into
.
.
.
commit
|
commitdiff
|
tree
2012-09-24
Teemu Murtola
Add pdbname selection keywo
r
d
.
commit
|
commitdiff
|
tree
2012-09-18
Teemu Murt
o
la
F
ixes for numeric and position selection variable
s
.
commit
|
commitdiff
|
tree
2012-09-16
Teemu Murtol
a
Fix inso
l
idangle
s
el
e
ct
i
ons near p
o
les
.
commit
|
commitdiff
|
tree
2012-09-13
Teemu
M
urt
o
l
a
Fix some m
e
mory leaks
.
commit
|
commitdiff
|
tree
2012-07-15
T
eemu
Murtola
Remo
v
ed c
o
mma
s
from gmx_
h
bond Op
e
nMP constructs
.
commit
|
commitdiff
|
tree
2012-07-09
T
e
emu Murtola
Fix memory error with complex bool
e
an selections
.
commit
|
commitdiff
|
tree
2012-05-30
Teemu Murtola
Fix u
s
e af
t
er
free
i
n g_anaeig projection code
.
commit
|
commitdiff
|
tree
2012-05-24
Teemu Murtola
Merg
e
"Code cleanup to a
v
oid name c
o
llisions" into
.
.
.
commit
|
commitdiff
|
tree
2012-05-17
Teemu M
u
rtola
Merge "Fi
x
ing more cl
a
n
g warn
i
ngs" into
r
e
leas
e
-4-6
commit
|
commitdiff
|
tree
2012-05-07
Teemu Murt
o
la
M
e
rge
b
ranch 'gerrit/rele
a
se-4-5-pa
t
che
s
' in
t
o r
e
lease-4-6
commit
|
commitdiff
|
tree
2012-05-05
Teemu Mur
t
ola
Cl
e
an up cmake version generatio
n
.
commit
|
commitdiff
|
tree
2012-05-05
Te
e
mu Mu
r
t
ola
Dr
o
p
s
upport for pr
e
-1
.
5
.
3 g
i
t for vers
i
o
n
in
f
o
.
commit
|
commitdiff
|
tree
2012-05-05
Tee
m
u
Mu
r
to
l
a
Fix cmake
v
ersion info gen
e
ration
.
commit
|
commitdiff
|
tree
2012-05-05
Teemu Murtol
a
Removed
auto
c
o
n
f ver
s
ion info g
e
nera
t
ion
.
commit
|
commitdiff
|
tree
2012-05-02
T
e
em
u
Mur
t
ola
Rem
o
ve
#
i
nclude <config
.
h> from pull_rotation
.
h
.
commit
|
commitdiff
|
tree
2012-04-28
Teemu Mur
t
ol
a
Merge
"Fi
x
f
or sigacti
o
n" into release
-
4-6
commit
|
commitdiff
|
tree
2012-04-27
Tee
m
u
M
urtola
F
ix version info generation
for autoco
n
f
.
commit
|
commitdiff
|
tree
2012-04-14
Te
e
mu
M
urtola
Mer
g
e "Clarified warning message
"
into release-4-5
.
.
.
commit
|
commitdiff
|
tree
2012-04-14
Teemu Mur
t
ol
a
Merge "Cla
r
ified
w
arning string"
int
o
release-4-5-
p
a
tches
commit
|
commitdiff
|
tree
2012-04-12
Teemu Murtola
R
e
ad PDB informatio
n
in r
e
ad_tps_
c
onf()
.
commit
|
commitdiff
|
tree
2012-03-12
Teemu
M
urtola
Merge
"
Made
descripti
o
n
strin
g
for g_sele
c
t -selec
t
.
.
.
commit
|
commitdiff
|
tree
2012-02-21
Teemu
M
u
r
t
o
la
Merge "Use Git
s
er
v
er (m
i
r
r
o
r) to avoid f
e
tching problems
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Teemu Murtola
Merge
"Rev
e
rt "F
i
x ICC on W
i
ndow
s
Build"" into release
.
.
.
commit
|
commitdiff
|
tree
2011-12-01
Teemu Murtola
Fix selectio
n
parsing in doubl
e
preci
s
ion
.
commit
|
commitdiff
|
tree
2011-12-01
Teemu
Murto
l
a
Av
o
id possib
l
e warnings if HU
G
E_VAL != infinity
.
commit
|
commitdiff
|
tree
2011-10-19
Teemu
M
urtola
Merge "f
i
xed pull constraining doing nothing, fi
x
es
.
.
.
commit
|
commitdiff
|
tree
2011-02-16
Tee
m
u
Mu
r
tola
Fix
e
d a ra
r
e bu
g
in selection p
o
si
t
io
n
h
a
ndling
.
commit
|
commitdiff
|
tree
2010-10-18
Teemu Mu
r
to
l
a
U
s
e
CMa
k
e install f
o
r install-mdrun
(bugs #549,
#
5
55)
commit
|
commitdiff
|
tree
2010-10-13
Teemu
M
u
rtola
F
ixed sele
c
t
ion pro
b
lems with a minu
s
sign
.
commit
|
commitdiff
|
tree
2010-10-13
Teemu
Murtola
F
ixed
v
a
l
grind warnings in sel
e
ctions
.
commit
|
commitdiff
|
tree
2010-10-13
Teemu
Murtola
Fixed more selec
t
ion negation segf
a
ults
.
commit
|
commitdiff
|
tree
2010-10-13
T
eem
u
Murtola
Fixed segfault
s
with nega
t
io
n
s in selecti
o
ns
.
commit
|
commitdiff
|
tree
2010-09-20
T
e
emu Murt
o
la
Fixe
s
for selection modif
i
er initialization
.
commit
|
commitdiff
|
tree
2010-09-14
Teemu Mur
t
ola
Fixed version generation script to work on Macs
.
commit
|
commitdiff
|
tree
2010-09-10
Teemu Murtola
CMake
d
ocumen
t
ation i
m
provem
e
nts (b
u
g #53
9
)
.
commit
|
commitdiff
|
tree
2010-09-06
Teemu
Murtola
Impr
o
ved
p
a
ckag
e
vers
i
on handling in
C
Make
.
commit
|
commitdiff
|
tree
2010-08-31
Teemu Murtola
Fixed
C
Make libxm
l
2
d
etection
.
commit
|
commitdiff
|
tree
2010-08-30
Te
e
mu M
u
rtol
a
Cosmet
i
c
fix to inc
l
ude/CMak
e
Lists
.
txt
.
commit
|
commitdiff
|
tree
2010-08-26
Teem
u
Murtola
Fixed valgrind warni
n
gs and a s
e
gfault
i
n pdb2
g
mx
.
commit
|
commitdiff
|
tree
2010-08-13
T
eemu M
u
rtola
C
o
smetic
fi
x
es for selection parsin
g
.
commit
|
commitdiff
|
tree
2010-08-13
Teemu Mu
r
tola
Fixed CMa
k
e bu
i
ld
w
ith CMake 2
.
6
.
2
.
commit
|
commitdiff
|
tree
2010-08-11
Te
e
mu Mur
t
ola
F
ixed non-interac
t
ive stdin se
l
ection p
a
rsing
.
commit
|
commitdiff
|
tree
2010-08-10
Teemu Murtola
Fix
e
d a seg
f
aul
t
in sel
e
ction code
.
commit
|
commitdiff
|
tree
2010-08-09
Teem
u
Murtola
F
i
x
e
d co
m
piler
w
a
rnings in qm_orc
a
.
c
.
commit
|
commitdiff
|
tree
2010-08-09
T
e
emu Murtola
Mor
e
PME-User-Switch
f
ixes
.
commit
|
commitdiff
|
tree
2010-08-09
Tee
m
u Murtola
Fix
e
s for PME-User-Swi
t
ch
.
commit
|
commitdiff
|
tree
2010-08-06
Teemu Mur
t
ola
Add
e
d a comment about ICC warn
i
ngs in pars
e
r
.
y
.
commit
|
commitdiff
|
tree
2010-06-29
Teemu Murtola
m
d
r
u
n
a
ga
i
n
pr
i
nts copyr
i
ght
notice t
o
s
t
d
err
.
commit
|
commitdiff
|
tree
2010-06-29
T
eemu
M
urtola
A
dded gmxc
p
p sup
p
ort for
-Df
o
o=bar in mdp files
.
commit
|
commitdiff
|
tree
2010-06-28
T
eemu Murtola
Removed unnecess
a
ry typec
a
s
t
s from smalloc
.
h
.
commit
|
commitdiff
|
tree
2010-06-28
Teemu
Murt
o
la
Fixed some ea
s
y-to-fix C+
+
warn
i
n
g
s
.
commit
|
commitdiff
|
tree
2010-06-28
Teemu Murto
l
a
Fixed
a
typo in selectio
n
c
o
m
pi
l
er
.
commit
|
commitdiff
|
tree
2010-06-22
Teemu Murto
l
a
F
ixed gmxcpp dire
c
tory searc
h
f
o
r
include files
.
commit
|
commitdiff
|
tree
2010-06-13
T
e
emu Murtola
Fixed
a co
m
piler
wa
r
ning
.
commit
|
commitdiff
|
tree
2010-06-08
Teemu Murt
o
la
Chang
e
d selec
t
ion
boolean operator pr
e
cedence
.
commit
|
commitdiff
|
tree
2010-05-27
T
e
emu Murt
o
la
F
i
x
e
d a few signed/unsigne
d
compari
s
on
w
arni
n
gs
.
commit
|
commitdiff
|
tree
2010-05-21
Teemu Murtola
Selections compiler comments and debugging aids
.
commit
|
commitdiff
|
tree
2010-05-21
Teemu M
u
rtola
Simpl
i
fi
e
d selection
compilation,
f
i
x
ing a bug
.
commit
|
commitdiff
|
tree
2010-05-20
Teem
u
Murtola
Added geminate
.
c
to src
/
tools/CMakeLists
.
txt
.
commit
|
commitdiff
|
tree
2010-05-20
T
e
emu Murtola
Reduced memory usa
g
e for s
t
ati
c
select
i
ons
.
commit
|
commitdiff
|
tree
2010-05-20
T
e
emu
Murtola
Selection compiler bug
f
i
x
.
commit
|
commitdiff
|
tree
2010-05-20
Teemu
M
urt
o
la
Fixed
s
ave_reallo
c
() to
not l
e
ak memory
.
commit
|
commitdiff
|
tree
2010-05-20
T
eemu Murtola
Reduced m
e
mory use fo
r
arithmetic i
n
selec
t
ion
s
.
commit
|
commitdiff
|
tree
2010-05-20
T
eemu Murtola
Removed compi
l
e
r wa
r
n
i
n
gs
.
commit
|
commitdiff
|
tree
2010-05-19
Teemu Mu
r
tola
Merge bran
c
h '
m
a
ster' of git@
g
i
t
.
gromacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-05-19
Teemu Mur
t
o
la
R
em
o
ved obsol
e
te selection code
.
commit
|
commitdiff
|
tree
2010-05-19
Teemu Mu
r
tola
Big rework of
selection c
o
mp
i
lation/eval
u
atio
n
.
commit
|
commitdiff
|
tree
2010-05-14
Tee
m
u Murtola
Restructur
e
d selection subexpression compilatio
n
.
commit
|
commitdiff
|
tree
2010-05-14
Teemu M
u
r
t
o
la
Bas
i
c selectio
n
m
e
mory
p
ooling
.
commit
|
commitdiff
|
tree
2010-05-14
T
eemu
M
u
rtola
Simpler spec
i
al
c
ase
subex
p
res
s
ion h
a
nd
l
ing
.
commit
|
commitdiff
|
tree
2010-05-14
Teemu Murtola
Selec
t
ion com
p
iler boo
l
fl
a
gs i
n
t
o
a
sin
g
le field
.
commit
|
commitdiff
|
tree
2010-05-11
Teem
u
Murtola
Upda
t
e
d
share/
t
op
M
akefile
.
am fi
l
es
.
commit
|
commitdiff
|
tree
2010-05-11
Te
e
m
u
M
urtola
Grid-ba
s
ed utility nbsea
r
ch implementation
.
commit
|
commitdiff
|
tree
2010-05-11
Teemu Murtol
a
Improved n
e
i
g
hbor searchin
g
API
for analysis
.
commit
|
commitdiff
|
tree
2010-05-07
Teemu Murtola
Minor improvement
s
to select
i
on help
.
commit
|
commitdiff
|
tree
2010-05-07
Teemu Murtola
Basic arithmetic ex
p
re
s
sion s
u
pport in
selections
.
commit
|
commitdiff
|
tree
2010-05-06
Teemu
M
urtola
More
m
emory optimizations for selections
.
commit
|
commitdiff
|
tree
2010-05-06
Teemu
Mur
t
ola
Reduc
e
d peak memory usage for
s
election
s
.
commit
|
commitdiff
|
tree
2010-05-05
Teemu Mu
r
tol
a
F
i
xed a bug in gmx_wcmatch()
.
commit
|
commitdiff
|
tree
2010-04-29
Teemu Murtola
Fixed som
e
m
e
mory leaks
.
commit
|
commitdiff
|
tree
2010-04-29
Te
e
m
u Murtola
F
ix
fo
r
trjcon
v
-
e op
t
ion (bu
g
#305)
.
commit
|
commitdiff
|
tree
2010-04-28
Teemu Murtola
Fixed g_wham er
r
o
r
m
e
ssage (bugzilla #397)
.
commit
|
commitdiff
|
tree
2010-04-28
Te
e
mu Murtola
Ad
d
e
d
a few
f
unctions for freeing memory
.
commit
|
commitdiff
|
tree
2010-04-28
Teemu Murtola
S
elect
i
on
based on m
o
le
c
ul
e
n
umbers
.
commit
|
commitdiff
|
tree
2010-04-28
Teemu Murtola
Fixed a memory le
a
k in se
l
ec
t
ion code
.
commit
|
commitdiff
|
tree
2010-04-27
Teemu Murtola
"same"
s
elect
i
ons with st
r
ing
key
w
ords
.
commit
|
commitdiff
|
tree
next