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Wrong name for report-methods tool
2018-10-10
Paul B
a
uer
Wron
g
n
ame f
o
r report
-
met
h
ods tool
commit
|
commitdiff
|
tree
2018-10-10
Berk Hess
Mov
e
pull o
u
tpu
t
functions to output
.
c
p
p
commit
|
commitdiff
|
tree
2018-10-10
Ber
k
H
ess
Minor refactor
i
ng in
b
on
d
ed threading
commit
|
commitdiff
|
tree
2018-10-04
Berk Hess
Add note to
a
void constraints=all-bonds
commit
|
commitdiff
|
tree
2018-10-03
Paul Bauer
Ch
a
nge acceptable precisio
n
i
n minimizer test
commit
|
commitdiff
|
tree
2018-10-03
M
.
Eric Irrgang
Combine
pri
v
at
e
sections of Md
r
unner definition
.
commit
|
commitdiff
|
tree
2018-09-27
Berk
H
ess
Move maxRefer
e
nceTem
p
e
r
a
ture() t
o
inputrec
commit
|
commitdiff
|
tree
2018-09-27
Be
r
k Hes
s
Im
p
rove
u
p
d
at
e
group rad
i
i
commit
|
commitdiff
|
tree
2018-09-27
B
erk Hess
Reorganize RVec s
c
aling fun
c
tions
commit
|
commitdiff
|
tree
2018-09-26
Berk He
s
s
Support a
t
o
m group
s
i
n
nbnxn_
s
earch
commit
|
commitdiff
|
tree
2018-09-21
P
a
scal Merz
M
a
k
e
CGLO_CHECK_NUM
B
ER_OF_BONDED_INTERACTIONS require
.
.
.
commit
|
commitdiff
|
tree
2018-09-20
Paul Bauer
S
epa
r
ate meth
o
ds
to creat
e
l
ocaltop and t_topology
commit
|
commitdiff
|
tree
2018-09-19
M
.
Eric Irrga
n
g
Change names of gmxapi::V
e
rsion
f
unction
s
.
commit
|
commitdiff
|
tree
2018-09-14
P
au
l
Bauer
Remove LaTeX f
i
le w
r
i
ting
f
rom g
m
x
c
heck
commit
|
commitdiff
|
tree
2018-09-13
Mark Abraham
Eliminate
m
a
in
.
h
commit
|
commitdiff
|
tree
2018-09-07
Mark Abraham
S
epara
t
e s
i
mulation
databas
e
used i
n
tests
commit
|
commitdiff
|
tree
2018-09-05
M
.
Eric Irrga
n
g
A
d
just lo
a
der pa
t
h re
s
olution on M
a
c OS
X
.
commit
|
commitdiff
|
tree
2018-09-05
Mark Abra
h
am
Be
quie
t
er when failing to d
e
tect GPUs
commit
|
commitdiff
|
tree
2018-09-05
Paul B
a
uer
Improve stability
o
f para
l
lel docume
n
tation
bu
i
ld
commit
|
commitdiff
|
tree
2018-09-03
Paul
B
a
ue
r
F
i
x error
i
n
d
ocumentation bui
l
d
commit
|
commitdiff
|
tree
2018-09-03
R
o
land Schulz
Reduce duplicati
o
n
in gpu_utils
commit
|
commitdiff
|
tree
2018-08-28
Paul
B
auer
Fix
d
ocumenta
t
i
on
b
uild with
o
u
t
i
m
a
gemagick
commit
|
commitdiff
|
tree
2018-08-23
Paul B
a
uer
Update to
prepare fo
r
2
0
18
.
4 point
r
elease
commit
|
commitdiff
|
tree
2018-08-23
Paul Bauer
Version 20
1
8
.
3
commit
|
commitdiff
|
tree
2018-08-22
Mark
Abraham
Permit PME on GPU
s
only
f
o
r
dynamic
a
l
i
ntegrators
commit
|
commitdiff
|
tree
2018-08-21
Berk Hess
En
s
ure
d
omains a
r
e large e
n
ough
f
or atom motion
commit
|
commitdiff
|
tree
2018-08-01
Paul Bauer
Fix
-sk
i
p opti
o
n
for gmx rms
commit
|
commitdiff
|
tree
2018-07-24
Paul Bauer
Change
m
a
nu
a
l sectio
n
on
r
e
starts w/o
c
heckpoint
commit
|
commitdiff
|
tree
2018-06-08
P
a
ul Bauer
Fix gm
x
solva
t
e
with
m
u
l
tiple so
l
ven
t
molecule
types
commit
|
commitdiff
|
tree
2018-05-30
Pa
u
l
Bauer
Disallo
w
use of empty box in
f
ormation in
s
ol
v
en
t
files
commit
|
commitdiff
|
tree
2018-04-26
P
aul
B
a
ue
r
Spli
t
up topolog
y
s
ection in manual
commit
|
commitdiff
|
tree
2018-04-26
P
a
ul B
a
uer
Split up
algorithms manual page
commit
|
commitdiff
|
tree
2018-04-18
P
a
ul Bauer
Remo
v
e o
b
solete
v
ariable p
r
e
c gro file output
commit
|
commitdiff
|
tree
2017-12-19
Paul Bauer
R
emoved
-
skip option from gm
x
energy
commit
|
commitdiff
|
tree
2017-12-11
Paul Bau
e
r
Fewer m
e
s
sa
g
es
wh
e
n -cpi file is n
o
t present
commit
|
commitdiff
|
tree
2017-12-08
Paul Bauer
Add info
r
mation regarding
xlc compiler
commit
|
commitdiff
|
tree