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Introduce topology class for modular simulator
2019-09-05
Pasca
l
M
e
r
z
Introduce topol
o
gy cl
a
ss
f
or
m
od
u
l
ar si
m
ul
a
t
o
r
commit
|
commitdiff
|
tree
2019-08-28
P
ascal M
e
r
z
In
t
roduce MicroSt
a
te for mod
u
l
ar
s
im
u
lator
commit
|
commitdiff
|
tree
2019-08-05
Pa
s
cal Mer
z
Add tr
i
v
i
al const qualifier to e
n
ergy output
commit
|
commitdiff
|
tree
2019-08-05
Pascal Merz
Add const getter
t
o MDAtoms
commit
|
commitdiff
|
tree
2019-08-05
Pascal Merz
I
n
troduc
e
SimulatorBuilder
commit
|
commitdiff
|
tree
2019-07-09
Pasc
a
l Mer
z
Added
t
rivi
a
l cons
t
q
u
alifier t
o
relax_shell_flexcon()
commit
|
commitdiff
|
tree
2019-07-09
Pasca
l
Merz
Const qualifier for f
o
r
c
es in update_coo
r
ds
commit
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commitdiff
|
tree
2019-05-16
P
a
scal Merz
Us
e
Pytho
n
3
commit
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commitdiff
|
tree
2018-09-26
Pascal Merz
(R
e
-)fix typo in DD load
b
alancing
prin
t
ing
commit
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commitdiff
|
tree
2018-09-25
Pas
c
al M
e
rz
Remove u
n
necessary functionality from do_rerun
commit
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commitdiff
|
tree
2018-09-25
Pascal Merz
Prepare rerun comm
i
t
commit
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commitdiff
|
tree
2018-09-18
Pa
s
cal Merz
Doc
u
mentation fix: Rer
u
n a
n
d nstlist
commit
|
commitdiff
|
tree
2018-09-17
Pascal Mer
z
F
ix ty
p
o
i
n
DD load balancing printing
commit
|
commitdiff
|
tree
