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Change t_extmass pointers to std::vector
2018-12-28
Kevin Boyd
Ch
a
nge
t
_
extmass
p
o
i
nters to s
t
d::vector
commit
|
commitdiff
|
tree
2018-12-28
Kevin
B
oyd
C
o
n
vert gmx_stochd_t to C++
commit
|
commitdiff
|
tree
2018-12-27
K
e
v
i
n
Boyd
Use
std::vector for trotter_se
q
commit
|
commitdiff
|
tree
2018-12-27
K
evin Boyd
Make
a
ll thre
a
d-mpi
t
hreads release c
r
st
r
ucture
commit
|
commitdiff
|
tree
2018-12-27
Kevin
Boyd
Re
m
ove unused function d
e
cla
r
ations
i
n upd
a
te
.
h
commit
|
commitdiff
|
tree
2018-12-26
Ke
v
in Boyd
Fix small leaks in d
o
_md c
l
e
anup
commit
|
commitdiff
|
tree
2018-12-21
K
e
vin Boyd
Free global_st
a
t
at e
n
d
o
f do_md
commit
|
commitdiff
|
tree
2018-12-21
K
e
vin Boyd
C
a
l
l wa
l
lcycle counter
cleanup function
commit
|
commitdiff
|
tree
2018-12-21
Kevin Boyd
Fix leak in
l
e
g
a
cymdrun
o
ptions
commit
|
commitdiff
|
tree
2018-12-21
Kevi
n
Bo
y
d
Fi
x
sma
l
l
lea
k
in forcerec
commit
|
commitdiff
|
tree
2018-12-17
Ke
v
i
n
Boyd
Fix memory l
e
aks in ns cleanup
commit
|
commitdiff
|
tree
2018-12-17
Kevin Boyd
Fix me
m
ory
l
e
a
k
a
t end
o
f d
o
_
m
d
commit
|
commitdiff
|
tree
2018-11-11
Kevin Boyd
Ad
d
test
i
ng utilit
y
for in-place m
o
difi
c
ation
of
i
n
put
.
.
.
commit
|
commitdiff
|
tree
2018-10-29
K
e
vin
B
o
y
d
Add constructor
f
o
r
t_corr
in gmx
_
msd
commit
|
commitdiff
|
tree
2018-09-27
Kevi
n
Boyd
Reduce prepro
c
essor de
p
e
n
dency i
n
resourcedi
v
i
sion
.
cp
p
commit
|
commitdiff
|
tree
2018-09-17
Ke
v
in Boyd
Added b
a
s
i
c
test
s
for gmx msd
commit
|
commitdiff
|
tree
2018-09-03
K
e
v
in Boyd
Co
r
r
e
ct info in Berends
e
n p-co
u
pl
i
ng mdp option
commit
|
commitdiff
|
tree
2018-09-02
Ke
v
i
n
Boyd
Fixed bug repor
t
ing initial D
L
B st
a
te
commit
|
commitdiff
|
tree
2018-08-10
Kevin Boyd
Add
e
d physical validation document to the
dev
manu
a
l
.
commit
|
commitdiff
|
tree
2018-08-06
Kevi
n
Boyd
Fix gmx solv
a
t
e topology
updating
commit
|
commitdiff
|
tree
2018-08-04
Kevi
n
Boyd
Support hwloc 2
.
x
.
x
commit
|
commitdiff
|
tree
2018-07-31
Kevin
Boy
d
Report up
to date
h
w
lo
c
version i
n
formation
commit
|
commitdiff
|
tree
2018-07-29
Kevin B
o
yd
Fixed
syntax error in make_gromos_r
t
p
.
py
commit
|
commitdiff
|
tree
2018-06-14
K
e
vin Boyd
Change
d
do
c
um
e
ntation
o
n common errors dur
i
ng m
i
nimizati
o
n
commit
|
commitdiff
|
tree
2018-06-06
Kevin Boy
d
Adde
d
to PM
E
o
n GPU information
i
n mdrun perfo
r
m
ance
commit
|
commitdiff
|
tree
2018-06-01
Kevin Boyd
Cosmetic fi
x
es
t
o m
d
p do
c
umentation
commit
|
commitdiff
|
tree
2018-05-23
K
e
v
i
n Boyd
Re
m
oved
"XXX
non-
m
atchi
n
g
a
t
om names" Martini state
m
ent
.
commit
|
commitdiff
|
tree
2018-05-22
Kevi
n
Boyd
Cosmetic docu
m
enta
t
ion changes
commit
|
commitdiff
|
tree
2018-05-22
Kevin
Bo
y
d
Min
o
r
f
ixes to mdrun perfo
r
m
a
nce docu
m
e
n
tatio
n
commit
|
commitdiff
|
tree