repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Clean up ekind struct
2019-01-07
Kevin Boyd
C
lean up ekind struct
commit
|
commitdiff
|
tree
2019-01-06
Kevin Boyd
Convert t_vcm t
o
C
++, plugging
a
m
e
m
o
r
y leak
commit
|
commitdiff
|
tree
2019-01-02
Kevin Boyd
Fr
e
e topology in
n
on-DD si
m
ulations
commit
|
commitdiff
|
tree
2018-12-31
Kevi
n
B
oyd
Only
report intr
a
-sim communic
a
tion
with multip
l
e ranks
commit
|
commitdiff
|
tree
2018-12-31
Ke
v
in Boy
d
Fre
e
more
memor
y
in
constr
a
i
n
ts cleanup
commit
|
commitdiff
|
tree
2018-12-28
Kevi
n
Boyd
Chang
e
t_extmass pointers to std::vect
o
r
commit
|
commitdiff
|
tree
2018-12-28
Kevin
B
oyd
Convert g
m
x_sto
c
hd_t to C++
commit
|
commitdiff
|
tree
2018-12-27
Kevi
n
Boyd
U
se std:
:
v
ector
for tr
o
tter_se
q
commit
|
commitdiff
|
tree
2018-12-27
Kevin Boyd
Make all thr
e
a
d
-mpi threads releas
e
cr structure
commit
|
commitdiff
|
tree
2018-12-27
Kevin
B
oyd
Remove u
n
used fun
c
tion declar
a
tions
i
n
u
pdate
.
h
commit
|
commitdiff
|
tree
2018-12-26
Kevi
n
Boyd
Fix smal
l
leaks in do_
m
d
cleanup
commit
|
commitdiff
|
tree
2018-12-21
Ke
v
in Boyd
F
r
ee global_stat at end of do_m
d
commit
|
commitdiff
|
tree
2018-12-21
Kevin
Boyd
Call
wallcycle count
e
r
cl
e
a
nup fun
c
tio
n
commit
|
commitdiff
|
tree
2018-12-21
Kevi
n
Bo
y
d
Fix leak in legacym
d
runoptions
commit
|
commitdiff
|
tree
2018-12-21
Kevin Boyd
F
ix smal
l
leak in forcerec
commit
|
commitdiff
|
tree
2018-12-17
Kevin Boyd
Fix
memory leaks in ns cl
e
anup
commit
|
commitdiff
|
tree
2018-12-17
Kevin Boyd
Fi
x
m
emory
leak at end of do_md
commit
|
commitdiff
|
tree
2018-11-11
K
e
vi
n
B
o
y
d
Add testi
n
g
u
tility for
in-place modific
a
t
i
on of input
.
.
.
commit
|
commitdiff
|
tree
2018-10-29
Kevin Boyd
Add con
s
t
ructor for t_corr in gmx_msd
commit
|
commitdiff
|
tree
2018-09-27
Kevin
B
oyd
Re
d
uce prepr
o
cesso
r
dependency
in resou
r
cedi
v
ision
.
cp
p
commit
|
commitdiff
|
tree
2018-09-17
Ke
v
in Bo
y
d
Added b
a
sic tes
t
s for gmx m
s
d
commit
|
commitdiff
|
tree
2018-09-03
K
e
vin Boyd
C
o
r
r
ect i
n
fo in Bere
n
dsen p-coup
l
ing mdp
o
p
tio
n
commit
|
commitdiff
|
tree
2018-09-02
Kevin Boyd
Fix
e
d bug reporting ini
t
ial DLB state
commit
|
commitdiff
|
tree
2018-08-10
K
e
vin Boyd
Added ph
y
sical
validation do
c
um
e
nt t
o
the dev m
a
nu
a
l
.
commit
|
commitdiff
|
tree
2018-08-06
Ke
v
in Boyd
F
i
x gmx solv
a
te
t
opolo
g
y updatin
g
commit
|
commitdiff
|
tree
2018-08-04
Kevi
n
B
oyd
S
upport
hwloc 2
.
x
.
x
commit
|
commitdiff
|
tree
2018-07-31
Kevin Boyd
R
e
port up to date h
w
l
o
c v
e
rsion informa
t
ion
commit
|
commitdiff
|
tree
2018-07-29
Kev
i
n Boyd
F
ixed
s
y
n
tax er
r
or
in make_gr
o
mos
_
rtp
.
p
y
commit
|
commitdiff
|
tree
2018-06-14
K
evin Boyd
Changed documentation
on
c
ommon
errors during
minimization
commit
|
commitdiff
|
tree
2018-06-06
K
e
v
in Boyd
Added to PME on
GPU information
i
n
md
r
un perfor
m
ance
commit
|
commitdiff
|
tree
2018-06-01
Ke
v
i
n
B
o
y
d
Cosmetic fixes t
o
mdp documentation
commit
|
commitdiff
|
tree
2018-05-23
Kevin Boyd
Remov
e
d "XXX n
o
n-matching atom nam
e
s" M
a
r
t
ini st
a
tement
.
commit
|
commitdiff
|
tree
2018-05-22
Kevin Boyd
C
o
smetic documen
t
ation changes
commit
|
commitdiff
|
tree
2018-05-22
Kev
i
n Boyd
Minor fi
x
es
t
o
mdrun performance
d
ocumenta
t
ion
commit
|
commitdiff
|
tree