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Becksteinlab
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hop
Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.
https://hop.readthedocs.io
GNU General Public License v3.0
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Walkers and gflux code
#35
orbeckst
opened
5 years ago
1
alpha 1 release: no transitions detected
#34
orbeckst
closed
6 years ago
4
hop-generate-hopgraph.py fails (networkx incompatibilities)
#33
orbeckst
closed
6 years ago
0
put docs on RTD
#32
orbeckst
closed
6 years ago
2
user versioneer
#31
orbeckst
closed
6 years ago
0
clean up hop.constants and use MDAnalysis
#30
orbeckst
closed
6 years ago
0
clean up hop.density and use MDAnalysis
#29
orbeckst
closed
6 years ago
0
remove external density creator
#28
orbeckst
closed
6 years ago
0
Issue 23 volfix
#27
iwelland
closed
8 years ago
0
Issue 23 volfix
#26
iwelland
closed
8 years ago
0
Volume sorting fix
#25
iwelland
closed
8 years ago
0
main-develop -> master
#24
iwelland
closed
8 years ago
1
sites are not sorted by volume
#23
orbeckst
closed
6 years ago
7
trajectories are assumed to have skip_timestep/delta properties?
#22
iwelland
closed
6 years ago
2
g_flux like tool
#21
orbeckst
opened
8 years ago
0
Develop
#20
iwelland
closed
5 years ago
10
Issue 12 iwelland additions
#19
iwelland
closed
8 years ago
1
Issue 12 iwelland
#18
iwelland
closed
8 years ago
2
checking calculated rates for the manual test
#17
orbeckst
opened
8 years ago
6
upgrade code to work with MDAnalysis >= 0.11.0
#16
orbeckst
closed
8 years ago
5
use gridDataFormats
#15
orbeckst
opened
8 years ago
0
visualization of hopping network
#14
orbeckst
opened
8 years ago
4
add editor hint lines to all source files
#13
orbeckst
opened
8 years ago
0
merge Ian's code
#12
orbeckst
opened
9 years ago
7
upgrade to work MDAnalysis 0.11.0
#11
orbeckst
closed
8 years ago
25
documentation
#10
orbeckst
closed
5 years ago
2
Hop v0.3.3 requires MDAnalysis>0.7.4 but the present version is 0.7.4
#9
iorga
closed
9 years ago
1
easy_install from tar ball fails
#8
orbeckst
closed
8 years ago
1
generate html documentation
#7
orbeckst
closed
9 years ago
2
Density.export3D() broken
#6
orbeckst
closed
14 years ago
1
TAPtrajectory not working with MDAnalysis 0.6.2
#5
orbeckst
opened
14 years ago
2
HeatmapAnalysis missing keys
#4
denniej0
opened
14 years ago
0
CombinedGraph plotting
#3
denniej0
closed
14 years ago
1
unit tests required
#2
orbeckst
opened
14 years ago
6
incompatible with networkx 1.x
#1
orbeckst
closed
14 years ago
5