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Free topology in non-DD simulations
2019-01-02
Kevi
n
Boyd
Free topology in
n
on-DD simu
l
ations
commit
|
commitdiff
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tree
2018-12-31
Kevi
n
Boyd
Only report intra-
s
im commu
n
ica
t
io
n
with mu
l
tipl
e
rank
s
commit
|
commitdiff
|
tree
2018-12-31
Kevin Boyd
Free
m
ore mem
o
r
y
in constra
i
nts cleanup
commit
|
commitdiff
|
tree
2018-12-28
Kev
i
n Boyd
Chang
e
t
_extm
a
s
s
pointer
s
to
std::
v
ector
commit
|
commitdiff
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tree
2018-12-28
Kevin
Boyd
Co
n
vert gm
x
_stochd
_
t to C++
commit
|
commitdiff
|
tree
2018-12-27
Kevin Boyd
U
s
e std:
:
vect
o
r f
o
r
t
rotter_seq
commit
|
commitdiff
|
tree
2018-12-27
K
e
v
in
B
oyd
Make a
l
l thread
-
mpi
th
r
ead
s
release cr struc
t
ure
commit
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commitdiff
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tree
2018-12-27
Kevin Boyd
Rem
o
ve unuse
d
fun
c
t
ion
declaration
s
in update
.
h
commit
|
commitdiff
|
tree
2018-12-26
Kev
i
n B
o
yd
Fix
s
m
all l
e
aks in do_md cleanup
commit
|
commitdiff
|
tree
2018-12-21
Kevi
n
Boyd
F
r
ee g
l
obal_stat at end of do
_
md
commit
|
commitdiff
|
tree
2018-12-21
Kevin Boyd
Call wall
c
y
c
le c
o
unter clea
n
up functio
n
commit
|
commitdiff
|
tree
2018-12-21
Kevin Boyd
Fix leak in lega
c
ymdr
u
noptions
commit
|
commitdiff
|
tree
2018-12-21
Kevin
B
oy
d
Fix small le
a
k in forcerec
commit
|
commitdiff
|
tree
2018-12-17
K
ev
i
n Boyd
F
i
x memory le
a
ks in ns cleanup
commit
|
commitdiff
|
tree
2018-12-17
Kevin Boyd
F
i
x memory leak at end
o
f do
_
md
commit
|
commitdiff
|
tree
2018-11-11
Kevin Boyd
Add test
i
ng utility for in-p
l
ace
modif
i
cation of
input
.
.
.
commit
|
commitdiff
|
tree
2018-10-29
Kevin Boyd
Add
constru
c
t
o
r for t_co
r
r in gmx_msd
commit
|
commitdiff
|
tree
2018-09-27
Kevin Boyd
Redu
c
e preprocessor dependency in resourcedivision
.
cpp
commit
|
commitdiff
|
tree
2018-09-17
Kevin Boyd
Added
basic tests for gmx
ms
d
commit
|
commitdiff
|
tree
2018-09-03
Kevin Boyd
Cor
r
ect info
i
n Bere
n
dsen p
-
coupling mdp option
commit
|
commitdiff
|
tree
2018-09-02
Kev
i
n
Boyd
Fixed bug
r
e
porting initi
a
l DL
B
state
commit
|
commitdiff
|
tree
2018-08-10
Ke
v
in Boy
d
Adde
d
physical
v
alidat
i
o
n documen
t
to
t
h
e
d
ev
manual
.
commit
|
commitdiff
|
tree
2018-08-06
Kevin Boyd
Fix gmx solvate topology updating
commit
|
commitdiff
|
tree
2018-08-04
Kevin Boy
d
Support hwloc 2
.
x
.
x
commit
|
commitdiff
|
tree
2018-07-31
Kevin B
o
yd
Report up to date hwloc ver
s
ion information
commit
|
commitdiff
|
tree
2018-07-29
Kevin Bo
y
d
Fixed s
y
n
tax error in make
_
gromos_r
t
p
.
py
commit
|
commitdiff
|
tree
2018-06-14
Kevi
n
Boyd
Chan
g
ed
documentati
o
n
on common er
r
ors
during m
i
n
imization
commit
|
commitdiff
|
tree
2018-06-06
Kevin B
o
yd
A
dded
t
o
PME on
GPU information in mdrun performance
commit
|
commitdiff
|
tree
2018-06-01
K
evi
n
Boyd
Cosmetic fixes t
o
mdp doc
u
mentation
commit
|
commitdiff
|
tree
2018-05-23
K
e
vi
n
Boyd
Removed "XXX non-matching ato
m
names" Ma
r
tini statemen
t
.
commit
|
commitdiff
|
tree
2018-05-22
Kevin Boyd
Cos
m
etic docum
e
nt
a
tion changes
commit
|
commitdiff
|
tree
2018-05-22
Kevin Boyd
Minor fixes to
mdr
u
n performan
c
e documentatio
n
commit
|
commitdiff
|
tree