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Add description of relocatable binaries
2014-02-26
Te
e
mu Murtola
Fix
GMX_PRIu32
a
nd GMX_PR
I
u64 fo
r
MSVC
commit
|
commitdiff
|
tree
2014-02-25
Mark
A
b
raham
Keep
co
m
pilers happy
o
n BG/Q
commit
|
commitdiff
|
tree
2014-02-15
Teemu Murto
l
a
Fix some broken links in
H
T
M
L
pages
commit
|
commitdiff
|
tree
2014-02-09
Te
e
mu Murtola
S
hell co
m
p
letions through
O
pti
o
ns
commit
|
commitdiff
|
tree
2014-02-03
Mark Abraham
Add hac
k
to fix genbox
commit
|
commitdiff
|
tree
2014-02-02
Teemu Murtola
Extend v
a
lgrin
d
suppress
i
ons for OpenM
P
I
commit
|
commitdiff
|
tree
2014-01-30
Teemu M
u
rtola
Overview
d
ocs for us
i
n
g
Gromacs as a libra
r
y
commit
|
commitdiff
|
tree
2014-01-30
Teemu Murtola
Ren
a
me P
r
o
gramInfo to CommandLinePr
o
gram
C
o
n
te
x
t
commit
|
commitdiff
|
tree
2014-01-29
Teemu Murtola
Print common
options to 'gmx -h'
commit
|
commitdiff
|
tree
2014-01-22
Teemu Murtola
Use
loc
a
l
ProgramI
n
fo in CommandLineMo
d
u
l
eManager
commit
|
commitdiff
|
tree
2014-01-21
Teemu Murtola
Remove unused split
.
h
commit
|
commitdiff
|
tree
2014-01-20
Teemu
M
urtola
F
i
x test reference
data
commit
|
commitdiff
|
tree
2014-01-05
T
eemu Murtola
S
u
pport fo
r
defa
u
lt
v
alu
e
s for Sel
e
c
t
i
o
nOptio
n
commit
|
commitdiff
|
tree
2013-12-30
Teemu Murtola
More robu
s
t shell detection in GMXRC
commit
|
commitdiff
|
tree
2013-12-29
Teemu Murtola
M
i
nor vec
.
h
c
leanup
commit
|
commitdiff
|
tree
2013-12-24
T
eemu Mu
r
tola
Get rid of set_default_file_n
a
me()
commit
|
commitdiff
|
tree
2013-12-24
R
o
l
a
nd Schu
l
z
Ren
a
me remaining large_int to
int
6
4
commit
|
commitdiff
|
tree
2013-12-23
R
o
land S
c
hul
z
Replace
gmx
_
large_int_t with gmx
_
in
t
64_t
commit
|
commitdiff
|
tree
2013-12-16
Erik L
i
ndahl
Moved OpenMP detec
t
ion to sepa
r
ate fi
l
e
.
commit
|
commitdiff
|
tree
2013-12-08
T
eemu Murtola
D
o
n't
c
r
e
ate
s
ym
l
inks in the buil
d
tree
commit
|
commitdiff
|
tree
2013-12-04
Te
e
mu Murtola
Fix test
build with GMX_BU
I
LD
_
M
D
RU
N
_O
N
LY
commit
|
commitdiff
|
tree
2013-11-29
B
erk Hess
Created SIMD module
commit
|
commitdiff
|
tree
2013-11-20
T
eemu Murtola
Upd
a
te copyrig
h
t
headers in k
e
rnels
.
commit
|
commitdiff
|
tree
2013-11-20
Teemu Murtola
U
pda
t
e copyright he
a
ders in generated
kernels
.
commit
|
commitdiff
|
tree
2013-11-20
Teemu Murtola
S
c
rip
t
t
o automatically upd
a
te copyright
commit
|
commitdiff
|
tree
2013-11-17
Teemu Murtola
Reformat exi
s
ti
n
g LGP
L
copyright notices
.
commit
|
commitdiff
|
tree
2013-10-30
Alexey Shv
e
tsov
gromacs cp
p
: clean up -W
u
nused-parameter warni
n
gs
commit
|
commitdiff
|
tree
2013-10-18
Teemu
M
urtola
Upgrade layout fil
e
to s
u
p
p
ort D
o
x
ygen
>
=1
.
8
.
commit
|
commitdiff
|
tree
2013-10-07
T
e
e
m
u Mu
r
tol
a
Im
p
rove
m
a
rkup sub
s
ti
t
u
tio
n
in
HelpWriterCon
t
ext
.
commit
|
commitdiff
|
tree
2013-09-28
Teem
u
Mu
r
tola
Use
git
version inf
o
in
Doxy
g
en
.
commit
|
commitdiff
|
tree
2013-09-24
Teemu Murtola
Remove old generated HTML files
.
commit
|
commitdiff
|
tree
2013-09-24
T
eemu Murtola
R
e
mov
e
src/contrib/prfn
.
c an
d
related co
d
e
.
commit
|
commitdiff
|
tree
2013-09-23
Teemu
Murt
o
la
R
e
m
ove o
b
solete to
o
l
s
.
commit
|
commitdiff
|
tree
2013-09-20
Teemu Murtola
Merge branch 'rel
e
as
e
-4-6'
commit
|
commitdiff
|
tree
2013-09-06
T
e
emu Murtola
Supp
o
rt for par
a
llel da
t
a modules
.
commit
|
commitdiff
|
tree
2013-08-24
Teemu Murtola
[
R
FC] Really
uniform startup path for all bi
n
a
ries
.
commit
|
commitdiff
|
tree
2013-07-22
Teemu Murtola
Fix Doxygen warnings
.
commit
|
commitdiff
|
tree
2013-07-21
Teemu Mur
t
ola
More files to C++
.
commit
|
commitdiff
|
tree
2013-06-28
Teemu M
u
rto
l
a
Fix over
e
ager VdW radii change note
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu Murtola
Proper C++ API for
analy
s
is neighborhood searc
h
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu Murtola
Fix some issues
found by cpp
c
heck-1
.
58
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu M
u
rtola
Mor
e
binaries in
t
o
the wrapp
e
r bina
r
y
.
commit
|
commitdiff
|
tree
2013-05-24
T
eem
u
Mur
t
o
la
M
e
r
ge br
a
nch 'relea
s
e-4-6'
commit
|
commitdiff
|
tree
2013-04-19
Teemu Murtola
Merge branch 'release-4
-
5-pa
t
ch
e
s'
commit
|
commitdiff
|
tree
2013-04-10
Te
e
mu
Murtola
F
i
x ano
t
her
b
ug
i
n
selection su
b
e
xpression handling
.
commit
|
commitdiff
|
tree
2013-04-10
T
e
e
mu Mu
r
tola
Fix b
u
g in selection sube
x
pression
handl
i
ng
.
commit
|
commitdiff
|
tree
2013-04-10
Te
e
mu Mur
t
o
l
a
Fix another bug
i
n selection
s
ubexpres
s
ion handlin
g
.
commit
|
commitdiff
|
tree
2013-04-07
Teemu
Mu
r
tol
a
Fix bug in
selec
t
ion subexpression handling
.
commit
|
commitdiff
|
tree
2013-03-26
Teemu Murtola
I
mpro
v
e mast
e
r-specific CM
a
ke be
h
avior
.
commit
|
commitdiff
|
tree
2013-03-26
Teemu Murtola
Add histogra
m
outp
u
t for 'gmx gang
l
e
'
.
commit
|
commitdiff
|
tree
2013-03-24
T
e
emu Murtola
Merge libgmxana into libgroma
c
s
.
commit
|
commitdiff
|
tree
2013-03-08
Teemu M
u
rtola
B
e
tter
t
e
st
assertions fo
r
except
i
ons
.
commit
|
commitdiff
|
tree
2013-03-07
Teemu Mu
r
t
ola
Im
p
rove enum option inte
r
face
.
commit
|
commitdiff
|
tree
2013-03-07
Te
e
mu Murtola
More
fl
e
xible
handli
n
g of enum op
t
ion de
s
cri
p
tions
.
commit
|
commitdiff
|
tree
2013-03-07
Teem
u
Murtola
F
ix co
p
yrigh
t
n
o
tices for new C++ code
.
commit
|
commitdiff
|
tree
2013-03-07
Te
e
mu M
u
rto
l
a
Updat
e
my e-
m
ail addres
s
on author lines
.
commit
|
commitdiff
|
tree
2013-02-25
Teem
u
Murtola
Uncrust
i
fy tem
p
lat
e
.
cpp and
s
election
.
cpp
.
commit
|
commitdiff
|
tree
2013-02-10
Teemu Murtola
Manual reforma
t
ting
i
n
p
reparat
i
o
n
for uncrustify
.
commit
|
commitdiff
|
tree
2013-01-13
Teemu
Murtola
Rem
o
ve unused
bfunc
.
h
.
commit
|
commitdiff
|
tree
2012-12-30
Teemu Murt
o
la
Remove
non-fu
n
cti
o
nal
P
owerP
C
i
n
vsqrt
.
commit
|
commitdiff
|
tree
2012-12-30
T
eem
u
Murtola
Remove
s
upe
r
flu
o
us memory al
l
o
cation
.
commit
|
commitdiff
|
tree
2012-12-21
Teemu Murtola
Make
gmx_cpuid
.
h
self-standing
.
commit
|
commitdiff
|
tree
2012-12-21
Teemu Murtola
Remov
e
n
o
n-functional c
o
mp
i
ler overri
d
e for MacOSX
.
commit
|
commitdiff
|
tree
2012-12-17
Te
e
mu Murt
o
la
Fix
l
i
cense text pri
n
ted by progr
a
ms
.
commit
|
commitdiff
|
tree
2012-12-06
Teemu Murtola
Fix build
of template and other ex
t
ern
a
l code
.
commit
|
commitdiff
|
tree
2012-11-25
Teemu Murtola
Extended build information output and
r
eferenc
e
bu
i
ld
.
.
.
commit
|
commitdiff
|
tree
2012-11-10
Teemu Murtola
Option to create s
y
mlinks to g_ana
.
commit
|
commitdiff
|
tree
2012-11-10
Teemu M
u
rtola
A
l
way
s
u
se relative install p
a
ths
.
commit
|
commitdiff
|
tree
2012-11-10
Teemu Murtola
Remove obsolete
G
MX
_
T
H
R
E
AD_SHM_FDECOMP
.
commit
|
commitdiff
|
tree
2012-11-08
Teemu Murtola
In
c
l
ude Gro
m
acs files with double quot
e
s
in C++ code
.
commit
|
commitdiff
|
tree
2012-11-08
Teemu Murtol
a
Remove unnec
e
ssary config
.
h includes in C++ code
.
commit
|
commitdiff
|
tree
2012-10-16
Teemu Murt
o
la
Scri
p
t
for anal
y
zing include depende
n
cies
.
commit
|
commitdiff
|
tree
2012-10-15
Teemu
Murtola
Clea
n
up g_ana angle implementation
.
commit
|
commitdiff
|
tree
2012-10-15
Teemu Mu
r
tol
a
Extract Doxygen doc
s
for ano
n
ymou
s
namespaces
.
commit
|
commitdiff
|
tree
2012-10-15
Teemu Murtola
F
ix most warnings wit
h
Do
x
ygen 1
.
8
.
1
.
1
.
commit
|
commitdiff
|
tree
2012-10-15
Teemu Murtola
Remo
v
e explicit end
-
of-array markers from test
s
.
commit
|
commitdiff
|
tree
2012-10-02
Teemu
M
urto
l
a
More thoroug
h
uni
t
test
s
for plus/merge sele
c
tions
.
commit
|
commitdiff
|
tree
2012-09-28
T
e
e
mu Murtola
Remove un
u
sed c
o
de
.
commit
|
commitdiff
|
tree
2012-09-24
Tee
m
u Murtola
Ad
d
p
d
bname selection keyword
.
commit
|
commitdiff
|
tree
2012-09-24
Tee
m
u M
u
rtola
Add pdbname selection k
e
y
word
.
commit
|
commitdiff
|
tree
2012-09-18
Teemu Murto
l
a
Fixe
s
fo
r
numeric and positi
o
n sele
c
t
ion variables
.
commit
|
commitdiff
|
tree
2012-09-18
Teemu M
u
rtola
Add some valgrind suppression
s
for Mac
.
commit
|
commitdiff
|
tree
2012-09-16
Te
e
m
u Murt
o
la
Fix insol
i
dang
l
e selec
t
ions
near
p
oles
.
commit
|
commitdiff
|
tree
2012-09-13
Teemu Murtola
Fix som
e
m
e
mory
l
e
a
ks
.
commit
|
commitdiff
|
tree
2012-09-07
Teemu Murto
l
a
Pri
n
t
m
ore info
r
matio
n
on exceptions
.
commit
|
commitdiff
|
tree
2012-09-07
Te
e
mu Murtola
Better err
o
r
message
s
for SelectionFileOption
.
commit
|
commitdiff
|
tree
2012-09-07
Teemu M
u
rtola
Bette
r
co
n
text in
f
ormation
h
a
n
dling
for e
x
ceptions
.
commit
|
commitdiff
|
tree
2012-09-07
Teemu Mur
t
o
l
a
R
e
structure fatal err
o
r format
t
ing
.
commit
|
commitdiff
|
tree
2012-09-07
Teemu Murtola
More features for Text
L
in
e
Wrapp
e
r
.
commit
|
commitdiff
|
tree
2012-09-04
Teemu Murtola
Allow 'atomname' a
n
d 'at
o
mtype' in selections
.
commit
|
commitdiff
|
tree
2012-08-31
Teemu M
u
rtola
Remove obsolete
.
g
i
tignor
e
entries
.
commit
|
commitdiff
|
tree
2012-08-30
Teemu Murtola
M
ore generic way to obtain
OptionInf
o
for
o
p
tions
.
commit
|
commitdiff
|
tree
2012-08-30
Teemu Murtola
Fix Sele
c
tionParserPar
a
me
t
er mov
e
constructor problem
.
commit
|
commitdiff
|
tree
2012-08-28
Teem
u
Murto
l
a
En
a
ble
C
++ use in sel
e
cti
o
n
m
e
th
o
ds
.
commit
|
commitdiff
|
tree
2012-08-28
Teemu Murtol
a
Add
s
ynta
x
to for
c
e selection string ma
t
ching mode
.
commit
|
commitdiff
|
tree
2012-08-28
Teemu
Murtola
Remo
v
e rema
i
n
i
ng G
M
X
_
ERROR
u
s
es
.
commit
|
commitdiff
|
tree
2012-08-28
Teemu Murt
o
la
Fix internal
error w
i
t
h selection "resn
a
me
h
e
lp"
.
commit
|
commitdiff
|
tree
2012-08-28
Teemu
M
ur
t
o
la
Handle Selectio
n
Pa
r
serParame
t
er as a value type
.
commit
|
commitdiff
|
tree
2012-08-28
Teemu M
u
rtola
C+
+
classe
s
for sel
e
ction p
a
rser values
.
commit
|
commitdiff
|
tree
2012-08-28
Teemu Murtol
a
C++ c
l
as
s
es for selection pa
r
ser par
a
m
e
ter
s
.
commit
|
commitdiff
|
tree
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