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Remove unused functions from gmxpreprocess
2019-09-15
P
e
ter Kasson
Patch gmxapi for Python 3
.
7
commit
|
commitdiff
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tree
2017-07-20
P
e
ter Kasson
R
ework an
d
rename
g
m
x
_
select
_
gpu_ids
commit
|
commitdiff
|
tree
2015-06-28
P
e
ter Kasson
Append
_pullx_ and _pullf t
o
pull files when -deffnm
.
.
.
commit
|
commitdiff
|
tree
2014-01-08
Pe
t
er Kasson
C
heckpointing fix for Na
t
ive Cl
i
e
nt
commit
|
commitdiff
|
tree
2013-12-29
P
eter K
a
ss
o
n
Patch fo
r
Native Cli
e
nt builds
.
commit
|
commitdiff
|
tree
2013-06-07
Peter Kasson
Fixes synta
x
for FAHCORE in CMakeLists
.
txt
.
commit
|
commitdiff
|
tree
2013-02-28
Peter K
a
sson
Declaration-def
i
ni
t
ion c
o
nsis
t
ency n
b
xn_cuda_wai
t
_
g
p
u
.
commit
|
commitdiff
|
tree
2013-02-15
Pete
r
Kasson
Unwinds fl
a
g dependenci
e
s in
g_orde
r
.
commit
|
commitdiff
|
tree
2010-08-10
Peter Kass
o
n
Merge branch 'master' of git@git
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-07-29
Peter Ka
s
s
on
Me
r
ge branch 'master' of git@
g
it
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-07-29
Peter Ka
s
s
o
n
Merge b
r
a
nch 'm
a
ster' of git@
g
it
.
g
romacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-07-13
P
e
ter Kasson
M
erge b
r
anch 'ma
s
te
r
'
of git@git
.
gr
o
mac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-07-07
Pe
t
er
Kasson
Changed #ifdef
o
ption to allow force
d
trr wri
t
e on
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
Peter Kasson
Merge branch 'maste
r
'
of
g
it@git
.
g
romacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-06-29
Peter Kasson
Merge branch
'
master' of git
@
g
i
t
.
grom
a
cs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-06-29
Peter Kasson
Added
a
few comments to gmx_membed
commit
|
commitdiff
|
tree
2010-06-25
Peter
K
asson
Mer
g
e branch '
m
aster' of g
i
t@g
i
t
.
g
romacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-23
P
eter
Kasson
make CMake with G
C
C defaul
t
to C99
o
ff (gcc 4
.
3
and
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
Peter
K
asson
fixed typo in pr
e
vious commit
commit
|
commitdiff
|
tree
2010-06-20
Peter K
a
sson
Modified
s
tat
.
c
trr file check for FAHCORE
.
commit
|
commitdiff
|
tree
2010-06-16
Peter Kasson
Change
d
some SSE ty
p
e
c
a
sts to macros; fixin
g
ICC/Windows
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
Peter
Kasson
Mo
d
ifications i
n
fsync
routines for chec
k
points
.
commit
|
commitdiff
|
tree
2010-05-13
Peter Kass
o
n
mad
e
#define
s
consistent:
F
AHCORE -> GMX_FAHCO
R
E
commit
|
commitdiff
|
tree
2010-05-11
Peter Kasson
Ad
d
ed #ifdef HAVE_S
I
GUSR1
around S
I
GUSR1
refs in sigh
a
ndler
.
c
commit
|
commitdiff
|
tree
2010-04-17
Peter Kass
o
n
Merge branch 'master' o
f
g
it@g
i
t
.
g
r
omacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-04-17
Peter Ka
s
son
F
ixe
s
for Window
s
/ICC--typecasting
commit
|
commitdiff
|
tree
2010-04-04
Peter Kas
s
on
Merge branch 'master' o
f
g
i
t@git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-04-04
P
e
ter Kas
s
on
Merge b
r
anc
h
'maste
r
' o
f
git@gi
t
.
gr
o
m
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-25
Peter
K
asson
Changed div
i
de-by-zero #
d
efine f
r
om
d
i
vid
e
()
t
o div
i
d
e_err
.
.
.
commit
|
commitdiff
|
tree
2010-03-12
P
et
e
r K
a
sso
n
Fi
x
ed
C99 -> C syntax
f
o
r
m
d_openmm
.
c
commit
|
commitdiff
|
tree
2010-03-12
Peter Ka
s
so
n
R
everte
d
duplicate fix from
f
f53e724
4
c832155f4
7
269
f
459ec0e
b
e
.
.
.
commit
|
commitdiff
|
tree
2010-03-12
P
e
ter Ka
s
son
M
in
o
r
C
M
ake
tweaks and W
i
ndows m
o
d
i
fica
t
ions
.
commit
|
commitdiff
|
tree
2009-12-17
Peter Kasso
n
Merge branch 'master
'
of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-12-17
P
eter Kasso
n
Minor fix for checkpointing
.
commit
|
commitdiff
|
tree
2009-12-14
P
e
t
e
r K
a
ss
o
n
M
e
rg
e
b
r
a
n
c
h 'master' of git@git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2009-12-14
Peter K
a
sson
Chan
g
ed SSE t
y
pe
c
as
t
s back
t
o
#defines for po
r
tability
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
Peter Kasson
Merge branch
'maste
r
' of git@git
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2009-12-11
Peter Kass
o
n
Merge branch 'maste
r
' of g
i
t@
g
i
t
.
g
romacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2009-11-11
Peter Kasson
Merge branch 'master' of g
i
t@git
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2009-11-11
Peter Kasson
PK bugf
i
x for e
d
itconf
commit
|
commitdiff
|
tree
2009-11-11
Peter Kasson
Merge branc
h
'master' of g
i
t
@git
.
gr
o
macs
.
or
g
:gromac
s
commit
|
commitdiff
|
tree
2009-11-11
P
e
ter Kas
s
on
A
dded -align
and -aligncenter o
p
ti
o
ns for
editc
o
nf
.
commit
|
commitdiff
|
tree
2009-11-09
Peter Kasson
Merge
branch 'm
a
ster' of git@git
.
gr
o
ma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-11-09
Peter Kasson
F
i
x to chang
e
s
e
quent
i
al numbering in genconf
and resid
u
e
.
.
.
commit
|
commitdiff
|
tree
2009-11-09
Peter
Kas
s
o
n
Resid
u
e numbering functionalit
y
has
c
hanged
.
Added
.
.
.
commit
|
commitdiff
|
tree
2009-11-08
P
e
ter
Kass
o
n
M
erg
e
br
a
n
c
h 'master' o
f
gi
t
@git
.
gro
m
acs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2009-11-08
Peter Kass
o
n
Added c
o
de to restore
old beh
a
v
io
r
o
f genconf -renu
m
ber
.
.
.
commit
|
commitdiff
|
tree
2009-11-05
Peter Kasso
n
Modifie
d
genre
s
tr
to a
l
low restraining only pairs with
i
n
.
.
.
commit
|
commitdiff
|
tree
2009-07-28
Peter
K
asson
PK -sums option for
g_densmap to print
1
D sums
.
commit
|
commitdiff
|
tree
2009-07-28
Pet
e
r Kasson
M
erge branch 'master' o
f
git@git
.
gromacs
.
or
g
:
g
romacs
commit
|
commitdiff
|
tree
2009-07-28
Peter Kasson
PK m
o
dificat
i
on t
o
allow text out
p
ut
o
f
density
m
ap
.
.
.
commit
|
commitdiff
|
tree
2009-07-27
P
e
ter
K
asso
n
PK added ex
t
e
rn C for
r
m
pbc and atomprop
commit
|
commitdiff
|
tree
2009-07-27
Peter K
a
sson
Me
r
g
e b
r
anch 'master' of git@git
.
gromacs
.
org:grom
a
c
s
commit
|
commitdiff
|
tree
2009-07-16
P
eter Kasson
Merg
e
branch
'master' o
f
git@git
.
gromac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-16
Pet
e
r Kasson
PK added #define
CPLUSPLUS
i
f
__cplusp
l
us defined
commit
|
commitdiff
|
tree