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Update instructions in containers.rst
2019-09-15
Pete
r
Kasson
P
atch gmx
a
pi for P
y
thon 3
.
7
commit
|
commitdiff
|
tree
2017-07-20
Peter
K
a
s
son
Rework and rename gmx_sele
c
t_g
p
u
_ids
commit
|
commitdiff
|
tree
2015-06-28
Peter Kasson
Appe
n
d _pullx
_
and _p
u
llf to pull fi
l
es when -deffnm
.
.
.
commit
|
commitdiff
|
tree
2014-01-08
Peter Kasson
C
heckp
o
in
t
ing f
i
x
fo
r
Native
Cli
e
n
t
commit
|
commitdiff
|
tree
2013-12-29
P
e
t
e
r Kasson
P
a
tc
h
for
N
ative Cli
e
n
t
builds
.
commit
|
commitdiff
|
tree
2013-06-07
Peter Kasson
F
i
xes syntax for FAHCORE in CMakeLis
t
s
.
txt
.
commit
|
commitdiff
|
tree
2013-02-28
Peter Ka
s
son
Decla
r
ation-de
f
inition
consistency
nbxn_cuda_wait_gpu
.
commit
|
commitdiff
|
tree
2013-02-15
Pe
t
er Kasson
Unwinds f
l
ag dep
e
ndenc
i
es in g_orde
r
.
commit
|
commitdiff
|
tree
2010-08-10
Peter Kasson
Me
r
ge
branch 'master' of gi
t
@
git
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-07-29
Peter
Kasson
Merge branch
'
mas
t
e
r
'
of g
i
t@git
.
g
romacs
.
o
rg:gr
o
macs
commit
|
commitdiff
|
tree
2010-07-29
Pete
r
Kass
o
n
Me
r
ge branch 'mas
t
er
'
of git@git
.
gromacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-07-13
Peter Kasson
Merge br
a
nch 'master'
of git@git
.
gromacs
.
org
:
g
r
omac
s
commit
|
commitdiff
|
tree
2010-07-07
Peter K
a
ss
o
n
Cha
n
ged #if
d
ef opti
o
n to all
o
w
forced trr wr
i
te on
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
Pet
e
r Kasson
Merge
bra
n
ch '
m
aster' of git@git
.
gr
o
macs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-06-29
Peter
K
a
s
s
o
n
Merge br
a
nch 'master' of git@git
.
g
r
o
macs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-29
Peter Kasson
Added a few
c
omm
e
nts t
o
gmx_
m
em
b
ed
commit
|
commitdiff
|
tree
2010-06-25
P
eter Kasson
Merge
b
ranc
h
'master' of git@git
.
gro
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-23
P
e
t
e
r Kasson
make CMake with GCC default to C99 off (g
c
c 4
.
3 and
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
P
eter Kasson
f
ixed t
y
po in previous commit
commit
|
commitdiff
|
tree
2010-06-20
Peter K
a
sson
Modified stat
.
c trr file c
h
e
c
k for FAHCORE
.
commit
|
commitdiff
|
tree
2010-06-16
Peter Kasson
Chan
g
e
d
so
m
e
SSE typecasts to ma
c
ros; fixing ICC/Windows
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
Peter Ka
s
s
o
n
Modification
s
in fsync r
o
u
t
ine
s
for checkpoints
.
commit
|
commitdiff
|
tree
2010-05-13
Pe
t
er
Kasson
made #defines consistent: FAHCORE
-
> GMX
_
FAHCORE
commit
|
commitdiff
|
tree
2010-05-11
Pe
t
er
K
asson
A
dded #ifdef HAVE_SIGUSR1
around
SIGUSR1
r
efs in sig
h
andler
.
c
commit
|
commitdiff
|
tree
2010-04-17
Peter Ka
s
son
Merge
bran
c
h 'master'
o
f git@git
.
gromacs
.
org:grom
a
c
s
commit
|
commitdiff
|
tree
2010-04-17
Pe
t
er Kasson
Fi
x
es for Windows/
I
CC-
-
type
c
asting
commit
|
commitdiff
|
tree
2010-04-04
Peter Kasson
Merge
branch
'
mas
t
er' of g
i
t@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-04
Peter K
a
s
son
Merge branch 'mas
t
er' of
gi
t
@git
.
g
r
omacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-03-25
Pe
t
er
K
asson
Change
d
divide
-
by-zero #
d
efi
n
e f
r
om divide(
)
to divid
e
_err
.
.
.
commit
|
commitdiff
|
tree
2010-03-12
P
e
ter Kasson
F
i
xed C99 -> C
s
yntax
f
or
m
d_openmm
.
c
commit
|
commitdiff
|
tree
2010-03-12
Peter Ka
s
so
n
Re
v
erted
duplicate fix fro
m
ff53e7244c832155f47269f45
9
e
c0ebe
.
.
.
commit
|
commitdiff
|
tree
2010-03-12
Pe
t
er
K
a
ss
o
n
Minor CM
a
ke tweaks and W
i
ndo
w
s
modifications
.
commit
|
commitdiff
|
tree
2009-12-17
Peter Kasson
Merge branch 'mas
t
er' of
g
it@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-12-17
P
eter
K
asso
n
Minor
fix f
o
r ch
e
ckpointing
.
commit
|
commitdiff
|
tree
2009-12-14
P
e
ter
Kas
s
on
M
erge bra
n
ch 'master
'
of git@git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-12-14
Peter Kasson
Ch
a
nged SSE typec
a
sts back to #defines for portability
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
P
eter Kasson
Merge bran
c
h 'mast
e
r' of
git@g
i
t
.
g
r
omacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2009-12-11
Pet
e
r
K
a
s
son
Merge
b
ranch 'm
a
ster' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-11-11
Peter
Kasson
Me
r
ge br
a
nch 'master'
of git@git
.
gromac
s
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2009-11-11
Peter Kass
o
n
PK bugfix for editconf
commit
|
commitdiff
|
tree
2009-11-11
P
et
e
r
K
asson
Merge branch 'master' of g
i
t@g
i
t
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2009-11-11
P
e
ter K
a
sson
Added -align and -aligncenter options f
o
r editconf
.
commit
|
commitdiff
|
tree
2009-11-09
Peter K
a
ss
o
n
Merge bra
n
ch '
m
aster
'
of git@g
i
t
.
g
r
omacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2009-11-09
P
eter Kasson
Fix to change sequential numbering in genconf and residue
.
.
.
commit
|
commitdiff
|
tree
2009-11-09
P
eter
K
asson
Res
i
due numbering function
a
lity h
a
s
changed
.
Added
.
.
.
commit
|
commitdiff
|
tree
2009-11-08
Peter
K
asson
Merge b
r
anch '
m
aster' of
git
@
git
.
gromac
s
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2009-11-08
P
e
ter Kasson
A
dded
code to restore old behavior o
f
genconf -renumber
.
.
.
commit
|
commitdiff
|
tree
2009-11-05
P
e
ter K
a
sson
Mo
d
i
fied genrestr to
a
llow restr
a
i
ning only pairs w
i
thin
.
.
.
commit
|
commitdiff
|
tree
2009-07-28
Peter Kasso
n
PK -s
u
ms option
for g
_
densm
a
p to print 1
D
sums
.
commit
|
commitdiff
|
tree
2009-07-28
Pete
r
Kasson
Merge
b
ranch
'
m
a
ster
'
of
git@git
.
gr
o
macs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-28
P
e
t
e
r Kasson
PK modification to allow text output of de
n
sity map
.
.
.
commit
|
commitdiff
|
tree
2009-07-27
Peter Kas
s
on
P
K
a
d
ded e
x
tern C for rmp
b
c and a
t
omprop
commit
|
commitdiff
|
tree
2009-07-27
Peter Kas
s
on
Merg
e
b
ranch 'master'
o
f git@git
.
gromacs
.
org:gr
o
ma
c
s
commit
|
commitdiff
|
tree
2009-07-16
P
eter Kass
o
n
Merge bra
n
c
h
'
m
a
s
ter
'
of git@gi
t
.
g
roma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-16
P
eter K
a
sson
PK added #defi
n
e CPLUSPLUS if __
c
plusplus defined
commit
|
commitdiff
|
tree