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Remove group scheme from deprecated release notes
2019-09-16
Kevin Boy
d
Remove
gro
u
p scheme
from de
p
reca
t
ed rele
a
se
n
otes
commit
|
commitdiff
|
tree
2019-07-25
Kevin Boyd
Add transpose operation
to
Matrix3x3
commit
|
commitdiff
|
tree
2019-07-23
Kevin
B
o
y
d
Mode
r
nize syntax of e
n
able_if
a
n
d tr
a
its to use
_t
.
.
.
commit
|
commitdiff
|
tree
2019-07-11
K
evin Boyd
Use const
view
s
in
matrix
d
et
e
rminan
t
calc
u
lation
commit
|
commitdiff
|
tree
2019-07-11
Kevi
n
B
o
yd
Add trace
f
u
nctionality
t
o
3
x3 matrices
commit
|
commitdiff
|
tree
2019-07-11
K
evin
B
oyd
Clean up g
m
x solvate
commit
|
commitdiff
|
tree
2019-07-10
Kevin Boyd
Ad
d
implicit conversion of mdspan-conta
i
ning types
.
.
.
commit
|
commitdiff
|
tree
2019-07-05
Kevin Bo
y
d
Change erro
r
messag
e
w
hen att
e
mpting t
o
offl
o
ad
t
o
.
.
.
commit
|
commitdiff
|
tree
2019-07-03
Kevin Boyd
Updates
to math/vec
.
h
commit
|
commitdiff
|
tree
2019-07-03
K
evin Boyd
Move more
tools out of gmxan
a
commit
|
commitdiff
|
tree
2019-07-02
Kevin Boy
d
Add mdsp
a
n bas
i
c ele
m
en
t
wi
s
e math
commit
|
commitdiff
|
tree
2019-07-02
Ke
v
in B
o
yd
Add function
f
or c
a
lculating 3x3 matr
i
x determinant
commit
|
commitdiff
|
tree
2019-07-02
Kevi
n
Boyd
Remove references to
ecutsGR
O
UP
commit
|
commitdiff
|
tree
2019-06-30
Ke
v
in Boyd
Remove group sche
m
e
c
h
eck
s
f
ro
m
runner
commit
|
commitdiff
|
tree
2019-06-27
Ke
v
in Boyd
Us
e
random water removal i
n
gmx solv
a
te
commit
|
commitdiff
|
tree
2019-02-09
Kevin B
o
yd
Use more vector in selection
i
nde
x
gro
u
ps s
t
ructs
commit
|
commitdiff
|
tree
2019-01-21
K
ev
i
n Bo
y
d
Convert g
m
x
_updat
e
_t to C++
commit
|
commitdiff
|
tree
2019-01-18
K
evin Boyd
Add tests for gmx
m
in
d
is
t
commit
|
commitdiff
|
tree
2019-01-18
Kev
i
n
B
oyd
Move n
o
n
-anal
y
sis tools fro
m
gmxana to gmxpreproces
s
commit
|
commitdiff
|
tree
2019-01-15
Kevin Boyd
Fix tiny leak in pleasecite
.
cpp
commit
|
commitdiff
|
tree
2019-01-14
Kevin
Boy
d
Par
t
ial con
v
ersion
o
f
gm
x
msd to std:
:
vector
commit
|
commitdiff
|
tree
2019-01-13
Kevin B
o
y
d
Fix small leak in co
n
straint
s
commit
|
commitdiff
|
tree
2019-01-13
Kev
i
n Boy
d
Ad
d
grom
p
p check f
o
r usag
e
of "de
f
ine" field in
mdp
commit
|
commitdiff
|
tree
2019-01-09
Kevin Boyd
Clean up thread teardown
commit
|
commitdiff
|
tree
2019-01-09
Kevin Boyd
Clean up PME load balancing stru
c
t
commit
|
commitdiff
|
tree
2019-01-07
Kevin Boyd
Clean up e
k
ind str
u
ct
commit
|
commitdiff
|
tree
2019-01-06
Ke
v
in Boyd
Convert t_vcm t
o
C++, pl
u
ggi
n
g a memory leak
commit
|
commitdiff
|
tree
2019-01-02
Kevin Boyd
Fr
e
e topology in no
n
-DD simulations
commit
|
commitdiff
|
tree
2018-12-31
Kevin
Boyd
On
l
y
r
epo
r
t intra-sim comm
u
nicatio
n
w
i
th multip
l
e ra
n
ks
commit
|
commitdiff
|
tree
2018-12-31
Kevin Bo
y
d
Free mor
e
me
m
o
ry i
n
constraint
s
cleanu
p
commit
|
commitdiff
|
tree
2018-12-28
Kevin Boyd
C
h
ange t
_
e
xtmass pointers to std
:
:vector
commit
|
commitdiff
|
tree
2018-12-28
Kevi
n
Boyd
Convert gmx_sto
c
hd
_
t
to C++
commit
|
commitdiff
|
tree
2018-12-27
K
evin Boyd
Use std::
v
e
c
to
r
for trotter_
s
eq
commit
|
commitdiff
|
tree
2018-12-27
Kevi
n
Boyd
Ma
k
e all thread-mpi threads rele
a
se cr structu
r
e
commit
|
commitdiff
|
tree
2018-12-27
Kevin Boy
d
Remove unused fu
n
ction
declara
t
ions in update
.
h
commit
|
commitdiff
|
tree
2018-12-26
K
e
v
i
n Bo
y
d
Fix small
l
e
aks
i
n
d
o
_md clean
u
p
commit
|
commitdiff
|
tree
2018-12-21
Kevi
n
Boyd
Free
global_stat
a
t e
n
d
of do_md
commit
|
commitdiff
|
tree
2018-12-21
Kevi
n
Boyd
C
a
ll wallcycle counte
r
cleanup function
commit
|
commitdiff
|
tree
2018-12-21
K
e
vin B
o
yd
Fix le
a
k in
leg
a
cymdru
n
options
commit
|
commitdiff
|
tree
2018-12-21
Kevin Boyd
Fix small
l
eak in forcer
e
c
commit
|
commitdiff
|
tree
2018-12-17
Kevi
n
B
oyd
Fix
m
e
m
o
r
y l
e
aks in n
s
cleanup
commit
|
commitdiff
|
tree
2018-12-17
Kevin Boyd
Fix memo
r
y leak at end
o
f do_md
commit
|
commitdiff
|
tree
2018-11-11
K
evin Boyd
A
dd testing utility for in-place
modificatio
n
of input
.
.
.
commit
|
commitdiff
|
tree
2018-10-29
Kevi
n
Boyd
Add co
n
st
r
uctor for t_corr in gmx_msd
commit
|
commitdiff
|
tree
2018-09-27
Kevin
B
oyd
Reduce prep
r
ocessor dep
e
ndency in resou
r
ce
d
i
v
ision
.
c
pp
commit
|
commitdiff
|
tree
2018-09-17
Kev
i
n Boyd
Add
e
d
b
asic
tests fo
r
gmx msd
commit
|
commitdiff
|
tree
2018-09-03
Kevin B
o
yd
Correct info
in Berends
e
n p-c
o
upling
m
dp op
t
ion
commit
|
commitdiff
|
tree
2018-09-02
Kevin
Boyd
Fixed bug
r
e
p
o
r
ting initial DLB
s
tate
commit
|
commitdiff
|
tree
2018-08-10
Kevin Boyd
Added physi
c
al validatio
n
do
c
ument to
the d
e
v
manual
.
commit
|
commitdiff
|
tree
2018-08-06
Kevin Boyd
Fix gm
x
so
l
vate topology updating
commit
|
commitdiff
|
tree
2018-08-04
Kevin
B
oyd
Sup
p
ort hwloc 2
.
x
.
x
commit
|
commitdiff
|
tree
2018-07-31
Kevin B
o
yd
R
e
port u
p
to date hwloc
v
ersion
i
nformat
i
on
commit
|
commitdiff
|
tree
2018-07-29
Kevin Boyd
Fix
e
d synta
x
error in make_gromos_rtp
.
py
commit
|
commitdiff
|
tree
2018-06-14
Ke
v
in Boyd
Changed docum
e
n
t
a
t
io
n
on common errors durin
g
minim
i
zation
commit
|
commitdiff
|
tree
2018-06-06
K
evin
Boyd
Added to P
M
E on GPU information in mdrun per
f
o
r
mance
commit
|
commitdiff
|
tree
2018-06-01
Kevin B
o
yd
Cos
m
etic fixes to mdp documentation
commit
|
commitdiff
|
tree
2018-05-23
Kevi
n
Boyd
Removed "X
X
X non-matching
a
tom nam
e
s" Martini statement
.
commit
|
commitdiff
|
tree
2018-05-22
Kevin Boyd
Cos
m
e
t
i
c docum
e
ntation c
h
anges
commit
|
commitdiff
|
tree
2018-05-22
Kevin Boyd
M
i
nor fi
x
es to mdrun performance documentati
o
n
commit
|
commitdiff
|
tree