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Address review comments
2020-04-28
ejjordan
Address review comment
s
commit
|
commitdiff
|
tree
2020-04-28
ejjordan
Simplify cal
c
_
liste
d
s
ignat
u
r
e
commit
|
commitdiff
|
tree
2020-03-05
A
rte
m
Zhmurov
Finalize ren
a
ming o
f
bEnerVir
to c
o
mput
e
EnergyAndViria
l
commit
|
commitdiff
|
tree
2020-03-05
Mark
A
bra
h
am
S
impli
f
y PME s
t
ep workload managem
e
nt
commit
|
commitdiff
|
tree
2020-02-23
ejj
o
rdan
U
se more
forwa
r
d declarations to removed
header de
p
end
e
ncies
commit
|
commitdiff
|
tree
2020-02-12
Christian
Blau
Introduce readXvgData
to read x
v
g data into std::vecto
r
commit
|
commitdiff
|
tree
2019-12-19
e
j
j
or
d
an
Change some do
m
dec data members to
R
V
ec or IVec
commit
|
commitdiff
|
tree
2019-11-15
ejjordan
Fuse two adja
c
e
nt neighbor search branches in do_fo
r
ce
commit
|
commitdiff
|
tree
2019-11-08
ejjordan
F
i
x
2 broken NOLINT's from
cl
a
ng-fo
r
mat change
commit
|
commitdiff
|
tree
2019-09-19
ej
j
ordan
Remove or update comme
n
t
s
containing 'g
r
oup sche
m
e'
commit
|
commitdiff
|
tree
2019-09-19
Kevin Bo
y
d
Remove note about cu
t
off-scheme
from mdrun do
c
s
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraha
m
Mov
e
keyvalu
e
tree
w
rite
r
code
commit
|
commitdiff
|
tree
2019-07-24
Ma
r
k
A
braham
Remove tests of make_unique
commit
|
commitdiff
|
tree
2019-07-24
M
.
Eric Irrgang
Clarify use of Python
venv in gm
x
a
p
i
d
o
c
ker
i
mages
.
commit
|
commitdiff
|
tree
2019-07-23
M
.
Eric Irrg
a
ng
Improve docs fo
r
gmxapi Pyt
h
on environment prepa
r
ation
.
commit
|
commitdiff
|
tree
2019-06-24
M
.
Eric Irrgang
Add
a docker
l
ayer with a jupyter
n
o
t
ebook server
.
commit
|
commitdiff
|
tree
2019-01-18
Kevin Boyd
Move non-analysis tools from
g
mxana to gmxpr
e
process
commit
|
commitdiff
|
tree
2019-01-14
Mark Abraham
Improv
e
p
o
rtability of PME on GPU code
commit
|
commitdiff
|
tree
2019-01-14
D
avid van der
Spoel
MSD t
e
sts
f
or t
h
e -mol option
.
commit
|
commitdiff
|
tree
2018-11-29
Viacheslav Bolnykh
Added
re
f
erence
-
manual entry for MiMiC
commit
|
commitdiff
|
tree
2018-11-20
M
.
Eric Irrgang
B
u
m
p
gmxapi vers
i
o
n number for 2
0
20 development cycle
.
commit
|
commitdiff
|
tree
2018-11-12
Jo
e
Jor
d
an
Add coolq
u
otes
commit
|
commitdiff
|
tree
2018-09-17
Joe Jordan
Re
f
actor pdb2gmx in c
+
+ fr
a
mew
o
rk
commit
|
commitdiff
|
tree
2018-08-24
Joe J
o
rdan
change some char to strin
g
in gmxpreprocess
commit
|
commitdiff
|
tree
2018-08-07
M
.
Eric
I
rrgang
Add some developer help to
D
ev
e
loper Gu
i
de
.
commit
|
commitdiff
|
tree
2018-07-30
Joe Jor
d
a
n
r
emove
most
debug flags from gmxpr
e
proce
s
s
commit
|
commitdiff
|
tree