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Free more memory in constraints cleanup
2018-12-31
Ke
v
in Boyd
Free more memory
i
n constraints clean
u
p
commit
|
commitdiff
|
tree
2018-12-28
Kevin Boyd
C
hange t_extmass po
i
nters to
s
td:
:
vector
commit
|
commitdiff
|
tree
2018-12-28
Kevi
n
Boy
d
Co
n
vert gmx_
s
tochd_t to C++
commit
|
commitdiff
|
tree
2018-12-27
Kevin
B
oyd
Use std::v
e
ct
o
r
for trotter_seq
commit
|
commitdiff
|
tree
2018-12-27
Kevin Boyd
M
ak
e
all thread-m
p
i
threa
d
s release cr str
u
cture
commit
|
commitdiff
|
tree
2018-12-27
Kevi
n
B
oyd
R
emove unuse
d
functio
n
d
e
c
laratio
n
s in update
.
h
commit
|
commitdiff
|
tree
2018-12-26
Kevin Bo
y
d
Fix
s
m
a
l
l
leaks in do_md cleanup
commit
|
commitdiff
|
tree
2018-12-21
Kevin Boyd
Free global_s
t
at at end
o
f do_
m
d
commit
|
commitdiff
|
tree
2018-12-21
Kev
i
n
B
o
yd
Call wallcycle coun
t
er cleanup functio
n
commit
|
commitdiff
|
tree
2018-12-21
Kevin Boyd
Fix
leak in legacymdrunoptions
commit
|
commitdiff
|
tree
2018-12-21
Kevin B
o
yd
Fix small leak in forcerec
commit
|
commitdiff
|
tree
2018-12-17
K
evin Boyd
Fix memo
r
y leaks in
n
s cleanup
commit
|
commitdiff
|
tree
2018-12-17
Kevi
n
Boyd
Fix memory
leak at end of do_md
commit
|
commitdiff
|
tree
2018-11-11
Ke
v
in Boyd
A
dd testing u
t
i
lity for in-place modif
i
cation
o
f input
.
.
.
commit
|
commitdiff
|
tree
2018-10-29
K
e
vin Boyd
Add
c
on
s
truc
t
o
r
f
o
r t_corr in gm
x
_msd
commit
|
commitdiff
|
tree
2018-09-27
Kevin Boyd
Reduce preprocessor dep
e
ndency in resou
r
ce
d
ivis
i
on
.
cpp
commit
|
commitdiff
|
tree
2018-09-17
Kevin Boyd
Added basic t
e
sts for gmx msd
commit
|
commitdiff
|
tree
2018-09-03
Kevin Bo
y
d
Correct info in Berendsen p-
c
oupl
i
ng m
d
p opt
i
on
commit
|
commitdiff
|
tree
2018-09-02
Kevin Boyd
Fix
e
d bug rep
o
rting i
n
i
t
ial DLB state
commit
|
commitdiff
|
tree
2018-08-10
Kevin
Bo
y
d
Added physical validati
o
n document to the de
v
ma
n
ual
.
commit
|
commitdiff
|
tree
2018-08-06
Kevi
n
Boy
d
Fix
gmx solva
t
e to
p
ology up
d
ating
commit
|
commitdiff
|
tree
2018-08-04
K
e
vin Boyd
Support hwloc
2
.
x
.
x
commit
|
commitdiff
|
tree
2018-07-31
Kevin Boyd
R
epor
t
u
p
to da
t
e
h
wloc
v
ersion infor
m
atio
n
commit
|
commitdiff
|
tree
2018-07-29
Kevin Boyd
Fi
x
ed synta
x
error in
m
a
ke_gr
o
mos_rt
p
.
py
commit
|
commitdiff
|
tree
2018-06-14
Kevin Bo
y
d
Changed d
o
cumentation on common
e
rrors during mini
m
iz
a
ti
o
n
commit
|
commitdiff
|
tree
2018-06-06
Kevin Boyd
Added
t
o P
M
E on GPU
i
nformatio
n
in
mdru
n
perfor
m
an
c
e
commit
|
commitdiff
|
tree
2018-06-01
K
evin Boyd
Cosmeti
c
f
ixes
t
o
m
dp documenta
t
ion
commit
|
commitdiff
|
tree
2018-05-23
K
e
vin Boy
d
Removed "XXX non-
m
atc
h
ing atom names" Martini statement
.
commit
|
commitdiff
|
tree
2018-05-22
Kevin
B
oyd
Cosmetic documentation c
h
ang
e
s
commit
|
commitdiff
|
tree
2018-05-22
Kevi
n
Boyd
M
i
nor f
i
x
es to mdr
u
n perf
o
rmance documen
t
ation
commit
|
commitdiff
|
tree