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Remove source file with no content
2018-11-05
Mark Abra
h
am
Remo
v
e
s
ource fil
e
with no content
commit
|
commitdiff
|
tree
2018-11-05
Paul Bauer
Fix
n
on asc
i
i characters in manual re
f
erences
commit
|
commitdiff
|
tree
2018-11-05
P
aul
B
auer
Fix for
m
at
t
ing is
s
u
e
commit
|
commitdiff
|
tree
2018-11-02
Mark Abraham
Quiet unused variable warnings
commit
|
commitdiff
|
tree
2018-11-01
M
.
Eric Irrgang
Full
y
define symbols
in r
e
straintpotent
i
al
.
h
commit
|
commitdiff
|
tree
2018-10-30
Mark Abraham
Upda
t
es to doc
s
f
o
r O
p
enCL
s
u
p
p
o
rt
commit
|
commitdiff
|
tree
2018-10-26
Paul B
a
u
e
r
Fix link formatting in developer manual
commit
|
commitdiff
|
tree
2018-10-26
Paul
B
auer
U
p
date user
d
ocum
e
ntation overview
commit
|
commitdiff
|
tree
2018-10-22
Pau
l
B
au
e
r
Prepar
e
for beta 2
commit
|
commitdiff
|
tree
2018-10-22
Pa
u
l Bauer
GROMACS 201
9
first beta r
e
l
e
as
e
commit
|
commitdiff
|
tree
2018-10-18
Paul Bauer
Remove unused files
in docs/manu
a
l
commit
|
commitdiff
|
tree
2018-10-18
Paul Bauer
Fi
x
segmentation fault in gmx
h
elix
commit
|
commitdiff
|
tree
2018-10-15
M
.
Eri
c
I
r
rg
a
ng
Preparation for de-dupli
c
ating mdrun s
e
tup
commit
|
commitdiff
|
tree
2018-10-14
M
.
Eric Irrgang
Add some
"t
o
do"s fo
r
MD
M
odu
l
es a
n
d
Im
p
l
.
commit
|
commitdiff
|
tree
2018-10-14
Mar
k
Abra
h
am
Fix co
m
piler warnings
commit
|
commitdiff
|
tree
2018-10-11
Mar
k
Abr
a
ha
m
O
p
en mdrun log
f
ile only once
commit
|
commitdiff
|
tree
2018-10-10
Pa
u
l B
a
u
er
Wrong name for report-m
e
thods t
o
ol
commit
|
commitdiff
|
tree
2018-10-10
Berk
H
ess
Move pull output functions to
output
.
c
pp
commit
|
commitdiff
|
tree
2018-10-10
Ber
k
Hess
Minor re
f
actori
n
g in bonded threading
commit
|
commitdiff
|
tree
2018-10-04
B
erk Hess
A
d
d not
e
to avoi
d
co
n
straints=all-bonds
commit
|
commitdiff
|
tree
2018-10-03
Paul Bauer
Ch
a
nge acc
e
p
t
abl
e
precision in
minimizer
t
e
s
t
commit
|
commitdiff
|
tree
2018-10-03
M
.
E
r
ic Irrgang
C
o
mbine private s
e
ction
s
of Mdrunner defi
n
ition
.
commit
|
commitdiff
|
tree
2018-09-27
Berk Hess
Move maxReferenceT
e
mperatu
r
e(
)
to in
p
utrec
commit
|
commitdiff
|
tree
2018-09-27
Paul Bauer
Add mindis
t
output file che
c
k
commit
|
commitdiff
|
tree
2018-09-27
Berk Hess
Improve update gr
o
up ra
d
ii
commit
|
commitdiff
|
tree
2018-09-27
Berk
H
ess
Reor
g
anize
RVe
c
scali
n
g fu
n
ctions
commit
|
commitdiff
|
tree
2018-09-26
Berk Hess
S
u
p
p
o
rt at
o
m gr
o
ups in
nbnx
n
_search
commit
|
commitdiff
|
tree
2018-09-21
Pas
c
al
M
erz
Make
C
GLO
_
CHE
C
K_NUMBER_OF_
B
ONDED
_
IN
T
ERACTIONS require
.
.
.
commit
|
commitdiff
|
tree
2018-09-20
Paul Bauer
S
e
para
t
e m
e
thods
t
o
c
r
e
a
te
localtop and t_topology
commit
|
commitdiff
|
tree
2018-09-19
M
.
Eric Irrgang
Change n
a
mes of gmxap
i
:
:Version functions
.
commit
|
commitdiff
|
tree
2018-09-19
M
ar
k
Abraham
Fix
bug with state
natoms in membed
commit
|
commitdiff
|
tree
2018-09-14
Paul Ba
u
er
Remove LaTeX fil
e
writing from
gmx
c
heck
commit
|
commitdiff
|
tree
2018-09-13
Mark Ab
r
aha
m
Eliminate main
.
h
commit
|
commitdiff
|
tree
2018-09-07
Mark Abra
h
a
m
Separate
simulati
o
n database used in tests
commit
|
commitdiff
|
tree
2018-09-05
M
.
Eric I
r
rgan
g
Adjust load
e
r
path re
s
ol
u
t
i
on on Mac OS X
.
commit
|
commitdiff
|
tree
2018-09-05
Mark Abraham
B
e
qui
e
ter when f
a
ili
n
g to detect G
P
U
s
commit
|
commitdiff
|
tree
2018-09-05
Paul Bauer
Imp
r
ove sta
b
ility of parallel
documentation bui
l
d
commit
|
commitdiff
|
tree
2018-09-03
Paul Bauer
Fix er
r
or
i
n
documentation
b
u
ild
commit
|
commitdiff
|
tree
2018-09-03
K
e
vin B
o
yd
Correct info in Bere
n
dsen p-
c
oupling m
d
p option
commit
|
commitdiff
|
tree
2018-09-03
R
oland Sc
h
ulz
Reduce duplica
t
ion in gpu_util
s
commit
|
commitdiff
|
tree
2018-08-28
Paul
Ba
u
er
Fix d
o
c
u
mentat
i
on bu
i
ld
without imagemagick
commit
|
commitdiff
|
tree
2018-08-23
Paul Bauer
Upda
t
e to
p
r
e
pare for 2018
.
4
point rel
e
a
s
e
commit
|
commitdiff
|
tree
2018-08-23
Paul
B
auer
Vers
i
on 2018
.
3
commit
|
commitdiff
|
tree
2018-08-22
Mark
A
b
r
aham
Permit PME on GPUs onl
y
for dynamical
integrators
commit
|
commitdiff
|
tree
2018-08-21
Berk
H
ess
Ensu
r
e do
m
ains are large en
o
u
gh for atom mo
t
i
o
n
commit
|
commitdiff
|
tree
2018-08-01
Paul
Bauer
F
ix
-
sk
i
p
o
p
t
ion for gmx
rms
commit
|
commitdiff
|
tree
2018-07-24
Paul Bau
e
r
Chan
g
e manual
s
ection on res
t
art
s
w/o c
h
eckpo
i
nt
commit
|
commitdiff
|
tree
2018-06-08
Paul Bauer
Fix gmx solvate with mult
i
ple
s
ol
v
e
nt molec
u
l
e types
commit
|
commitdiff
|
tree
2018-05-30
P
a
ul
Bauer
D
isallow u
s
e o
f
empt
y
b
o
x informati
o
n
in solvent files
commit
|
commitdiff
|
tree
2018-04-26
Paul B
a
uer
Split up
topol
o
gy section in
m
anu
a
l
commit
|
commitdiff
|
tree
2018-04-26
Paul Baue
r
Split up algorit
h
m
s manual page
commit
|
commitdiff
|
tree
2018-04-18
P
aul
B
auer
Remo
v
e obsolete
v
ariable pr
e
c gro file output
commit
|
commitdiff
|
tree
2017-12-19
P
aul Baue
r
Remo
v
ed -skip option from gmx
energy
commit
|
commitdiff
|
tree
2017-12-11
P
a
ul Bauer
Fewer
messages when
-
cp
i
file is not pre
s
e
nt
commit
|
commitdiff
|
tree
2017-12-08
Pa
u
l Bauer
Add in
f
ormation
r
egarding xlc compiler
commit
|
commitdiff
|
tree