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Update instructions in containers.rst
2019-09-15
P
e
ter Kasson
Patc
h
gmxapi f
o
r Python 3
.
7
commit
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commitdiff
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tree
2017-07-20
Peter Kasson
Rework and rename gmx_select
_
gpu_ids
commit
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commitdiff
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tree
2015-06-28
Peter Kass
o
n
A
pp
e
nd _pull
x
_ and _pul
l
f to pull
f
iles
when -deffn
m
.
.
.
commit
|
commitdiff
|
tree
2014-01-08
Pe
t
e
r
Kass
o
n
C
h
eckp
o
i
nting fix for Native Cl
i
ent
commit
|
commitdiff
|
tree
2013-12-29
P
e
t
er Kasson
P
a
t
c
h
for
Nat
i
v
e
Client builds
.
commit
|
commitdiff
|
tree
2013-06-07
Peter Kasson
Fixes
syntax for FAHCORE in CMakeLists
.
txt
.
commit
|
commitdiff
|
tree
2013-02-28
Peter Kasson
Declaration-defini
t
ion consistency
nbxn_cuda_wait_gpu
.
commit
|
commitdiff
|
tree
2013-02-15
Peter Kasson
U
nwinds flag dependencies in
g_
o
rder
.
commit
|
commitdiff
|
tree
2010-08-10
Pe
t
er Kasso
n
Merge
bran
c
h 'mas
t
er' of
g
it@git
.
gromacs
.
org:g
r
om
a
cs
commit
|
commitdiff
|
tree
2010-07-29
Peter Kasson
Merge branch 'mast
e
r
'
o
f
g
i
t@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-07-29
Peter Kasson
Merge branch 'ma
s
ter' of
g
it@git
.
gromacs
.
org
:
groma
c
s
commit
|
commitdiff
|
tree
2010-07-13
P
et
e
r
Kasson
Merge branch
'master' of git@
g
it
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-07-07
Pe
t
e
r Kasson
Changed
#
if
d
ef option to allow forced trr
w
rite on
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
Peter K
a
sson
Merge branch '
m
aster' of git@git
.
gromacs
.
o
r
g:g
r
o
m
a
cs
commit
|
commitdiff
|
tree
2010-06-29
Peter Kasson
Merge b
r
anch 'master' of git@git
.
g
romacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-06-29
Peter Kasson
Adde
d
a f
e
w comm
e
n
t
s
to gmx_mem
b
ed
commit
|
commitdiff
|
tree
2010-06-25
Peter Kasson
Mer
g
e
bra
n
ch 'ma
s
ter' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-23
Peter Kasso
n
make
C
Mak
e
with GCC default to C99 of
f
(gc
c
4
.
3 and
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
Peter Kass
o
n
fixe
d
typo in
previous commit
commit
|
commitdiff
|
tree
2010-06-20
Peter
Kasson
Mo
d
ified
s
tat
.
c trr file check for FAHCORE
.
commit
|
commitdiff
|
tree
2010-06-16
Peter Kasson
C
hanged some S
S
E typecasts to mac
r
os;
fixing
ICC/Windows
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
Peter Kasson
Mod
i
fications in fsync routines for
checkpoints
.
commit
|
commitdiff
|
tree
2010-05-13
Peter
K
asson
made #defin
e
s c
o
nsistent: FAHCORE -> GMX_F
A
HCORE
commit
|
commitdiff
|
tree
2010-05-11
Pet
e
r Kasson
Added #ifdef HAVE
_
SIG
U
SR1
a
r
o
und
S
I
GUSR1 re
f
s in sighand
l
er
.
c
commit
|
commitdiff
|
tree
2010-04-17
Peter Kasson
Mer
g
e b
r
anch
'
master' o
f
git@git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-17
P
eter Kas
s
on
Fixes f
o
r Win
d
ows/ICC--typecasting
commit
|
commitdiff
|
tree
2010-04-04
Peter Kasson
Merge branch 'master'
of g
i
t@g
i
t
.
grom
a
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-04
Peter Kasson
Merge
b
ranch
'
m
a
ster' of git@
g
it
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-25
P
e
ter
K
asson
C
hanged d
i
vide-by-zer
o
#
d
efine from divide() to divide_err
.
.
.
commit
|
commitdiff
|
tree
2010-03-12
Peter Kasson
Fixed C
9
9
-
> C syntax for md_openm
m
.
c
commit
|
commitdiff
|
tree
2010-03-12
Peter Kasson
Reverted
d
uplicate fix from ff53e7244c832155
f
47269f459ec0
e
be
.
.
.
commit
|
commitdiff
|
tree
2010-03-12
Peter
K
asson
Minor CMake tw
e
aks and W
i
n
dows mo
d
ificatio
n
s
.
commit
|
commitdiff
|
tree
2009-12-17
Pete
r
Kasson
Merge branch 'mast
e
r' of
g
i
t
@git
.
gromacs
.
o
r
g:g
r
om
a
cs
commit
|
commitdiff
|
tree
2009-12-17
Peter
Kasson
M
inor
fi
x
fo
r
checkpoin
t
ing
.
commit
|
commitdiff
|
tree
2009-12-14
P
eter Kasso
n
Merge branc
h
'maste
r
' of
git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-12-14
Peter Kasson
Changed SSE typeca
s
ts back to #defines for portabilit
y
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
Peter Kas
s
on
Merge branch 'maste
r
' of git@
g
i
t
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2009-12-11
Peter Kasson
Merge branch 'master
'
of git@git
.
g
romacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2009-11-11
Peter Kasson
Merge branch 'master' of git@git
.
gro
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-11-11
Peter Kasso
n
PK bugf
i
x for editconf
commit
|
commitdiff
|
tree
2009-11-11
Pete
r
Kasson
Merge branch 'master' of git@
g
it
.
g
r
omacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2009-11-11
Pe
t
er Kasson
Adde
d
-al
i
g
n
and -aligncenter options for ed
i
tconf
.
commit
|
commitdiff
|
tree
2009-11-09
Peter K
a
s
son
Merg
e
branch 'master' o
f
git@git
.
g
ro
m
acs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2009-11-09
Pe
t
er K
a
sson
Fix
t
o chan
g
e s
e
quential nu
m
bering
i
n g
e
n
conf and re
s
idue
.
.
.
commit
|
commitdiff
|
tree
2009-11-09
Peter Kasso
n
Residue numbering functionality has
c
hanged
.
Added
.
.
.
commit
|
commitdiff
|
tree
2009-11-08
Peter Kasson
M
e
r
ge branch 'mas
t
e
r' of git@
g
i
t
.
gromac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-11-08
Pe
t
er Kasson
Added code to
r
estore old behavior of
ge
n
conf
-
re
n
umber
.
.
.
commit
|
commitdiff
|
tree
2009-11-05
Peter Kass
o
n
Modi
f
ied genrestr
t
o allow restraining only pairs
within
.
.
.
commit
|
commitdiff
|
tree
2009-07-28
Peter Kasson
PK -sums option for g_densmap to print 1D sums
.
commit
|
commitdiff
|
tree
2009-07-28
Peter Kasson
Merge branch 'm
a
ster' of
git@git
.
gr
o
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-28
Peter K
a
sson
PK modificat
i
on to a
l
low text output
o
f
d
e
n
s
ity map
.
.
.
commit
|
commitdiff
|
tree
2009-07-27
Pe
t
er Ka
s
son
PK added extern C for rmpbc
a
nd atompr
o
p
commit
|
commitdiff
|
tree
2009-07-27
Peter
K
asson
Merge branc
h
'm
a
ste
r
' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-16
Peter Kas
s
o
n
Merge b
r
anch
'
m
a
ster' of gi
t
@git
.
gromac
s
.
org:gro
m
a
c
s
commit
|
commitdiff
|
tree
2009-07-16
Peter Kasson
PK
a
d
d
ed #d
e
fine CPLUSPLUS i
f
__
c
plus
p
lu
s
defined
commit
|
commitdiff
|
tree