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dreid1991
/
md_engine
GPU-implenemted MD engine with flexible python wrapper
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Missing License?
#30
pabloferz
opened
4 years ago
1
Pimd to master
#29
bpkeene
closed
6 years ago
0
E3b3
#28
bpkeene
closed
6 years ago
0
E3b3
#27
bpkeene
closed
6 years ago
0
E3b3
#26
bpkeene
closed
6 years ago
0
fixed asynchronous turn print in writing lammps-style trajectories
#25
xmwebb
closed
6 years ago
0
*quick added fix-bond-quartic to index of documentation
#24
xmwebb
closed
6 years ago
0
Initial add of 'lammpstrj' format support to WriteConfig
#23
xmwebb
closed
6 years ago
0
Merge/update
#22
xmwebb
closed
6 years ago
0
PMR Documentation Update
#21
pmrauscher
closed
7 years ago
0
PIMD Race condition fix PLUS DOCUMENTATION
#20
xmwebb
closed
7 years ago
0
PIMD branch merge to master
#19
xmwebb
closed
7 years ago
0
* removed unneccessary print statements
#18
xmwebb
closed
7 years ago
0
PIMD update review
#17
xmwebb
closed
7 years ago
1
added deform, cleaned up a few files
#16
dreid1991
closed
7 years ago
0
Added functionality to support Ring polymer initialization for PIMD
#15
xmwebb
closed
7 years ago
0
PIMD
#14
xmwebb
closed
7 years ago
0
Rigid
#13
bpkeene
closed
7 years ago
0
added gradient descent integrator
#12
dreid1991
closed
7 years ago
0
Debugging ewald
#11
dreid1991
closed
7 years ago
0
Real units
#10
dreid1991
closed
7 years ago
0
Real units
#9
dreid1991
closed
7 years ago
0
Opt charges in pair
#8
dreid1991
closed
7 years ago
0
Style overhaul
#7
seankhl
closed
8 years ago
0
Handle molecules
#6
jhelfferich
opened
8 years ago
0
Read/Write restart files
#5
jhelfferich
opened
8 years ago
0
Charmm & Amber force fields
#4
jhelfferich
opened
8 years ago
0
Virial coefficients
#3
jhelfferich
opened
8 years ago
0
Nose-Hoover-Andersen barostat
#2
jhelfferich
opened
8 years ago
0
Nose-Hoover thermostat
#1
jhelfferich
closed
8 years ago
0