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[WIP] A simple MSM engine #518

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825751d
add nb
jhprinz Jul 11, 2016
aae55c5
nb update
jhprinz Jul 11, 2016
064e72f
Merge branch 'sepcvengine' into discreteengine
jhprinz Jul 12, 2016
4d20be5
nb update
jhprinz Jul 12, 2016
cc99198
Merge branch 'sepcvengine' into discreteengine
jhprinz Jul 12, 2016
49f8c63
Merge branch 'sepcvengine' into discreteengine
jhprinz Jul 21, 2016
16b56e6
add length logic
jhprinz Jul 22, 2016
930790d
add length logic
jhprinz Jul 22, 2016
838f82b
add length logic
jhprinz Jul 22, 2016
59f559e
add length logic
jhprinz Jul 22, 2016
5d6dec3
merge branch 'sepcvengine' into discreteengine
jhprinz Jul 28, 2016
e6af3bf
Merge branch 'sepcvengine' into discreteengine
jhprinz Aug 1, 2016
84bbe0f
Merge branch 'sepcvengine' into discreteengine
jhprinz Aug 1, 2016
017f932
update operators
jhprinz Aug 2, 2016
34599f2
Merge branch 'master' of github.com:choderalab/openpathsampling into …
jhprinz Aug 2, 2016
3e380f5
Merge branch 'master' of github.com:choderalab/openpathsampling into …
jhprinz Aug 3, 2016
94a67c3
Merge branch 'master' of github.com:choderalab/openpathsampling into …
jhprinz Aug 3, 2016
6fe99f8
update
jhprinz Aug 3, 2016
e995b43
Merge branch 'master' of github.com:choderalab/openpathsampling into …
jhprinz Aug 4, 2016
ab0a950
Merge branch 'master' of github.com:choderalab/openpathsampling into …
jhprinz Aug 8, 2016
2f15faf
Merge branch 'master' of github.com:choderalab/openpathsampling into …
jhprinz Aug 8, 2016
4d5a8e8
update nb
jhprinz Aug 9, 2016
285242a
update nb
jhprinz Aug 9, 2016
ce33c08
Merge branch 'master' of github.com:choderalab/openpathsampling into …
jhprinz Aug 13, 2016
ae319ad
Merge branch 'master' of github.com:choderalab/openpathsampling into …
jhprinz Aug 21, 2016
a68715e
Merge branch 'ala' into discreteengine
jhprinz Aug 21, 2016
c43722d
Merge branch 'master' of github.com:choderalab/openpathsampling into …
jhprinz Aug 22, 2016
e44f5df
Merge branch 'master' of github.com:choderalab/openpathsampling into …
jhprinz Aug 23, 2016
cec58e6
add python versions
jhprinz Sep 21, 2016
d5587ad
add python versions
jhprinz Sep 22, 2016
f246394
update
jhprinz Sep 22, 2016
fc14caf
update
jhprinz Sep 22, 2016
83cbe0c
updates
jhprinz Sep 22, 2016
fefac6f
updates
jhprinz Sep 26, 2016
5c8aa98
updates
jhprinz Sep 27, 2016
f1dedef
Merge branch 'master' of github.com:choderalab/openpathsampling into …
jhprinz Sep 27, 2016
52ad894
fix
jhprinz Sep 27, 2016
13eeed0
little updates
jhprinz Sep 29, 2016
349ce98
filepath
jhprinz Sep 29, 2016
af2d572
little update
jhprinz Sep 29, 2016
67ffd1d
little update2
jhprinz Sep 29, 2016
178a7e2
add tcv
jhprinz Sep 29, 2016
4069ef2
Merge branch 'master' of github.com:choderalab/openpathsampling into hal
jhprinz Sep 30, 2016
9c39a3a
update
jhprinz Sep 30, 2016
fae515b
update
jhprinz Sep 30, 2016
107afc4
update
jhprinz Sep 30, 2016
678dcc1
unload context
jhprinz Sep 30, 2016
275ce7d
Merge branch 'master' of github.com:choderalab/openpathsampling into hal
jhprinz Oct 5, 2016
926a720
updates
jhprinz Oct 5, 2016
e3d73d6
updates
jhprinz Oct 5, 2016
440c4ba
updates
jhprinz Oct 5, 2016
8636b62
use GPU core
jhprinz Oct 5, 2016
c90746e
Merge remote-tracking branch 'openpathsampling/master' into hal
jhprinz Oct 18, 2016
e50a831
example update and unicode fix
jhprinz Oct 19, 2016
da1e1dd
Merge branch 'master' of github.com:choderalab/openpathsampling into hal
jhprinz Nov 7, 2016
81b213a
Merge branch 'master' of github.com:choderalab/openpathsampling into …
jhprinz Nov 10, 2016
a7b7627
Merge branch 'master' of github.com:choderalab/openpathsampling into hal
jhprinz Nov 21, 2016
05ef379
update strip snapshots
jhprinz Nov 21, 2016
b6b088b
update strip snapshots
jhprinz Nov 21, 2016
006af0a
Merge branch 'onlyuuid' into haluuid
jhprinz Nov 21, 2016
cdef428
update
jhprinz Nov 22, 2016
86f8b9e
update
jhprinz Nov 22, 2016
cb85ad3
update
jhprinz Nov 22, 2016
b5301dc
update
jhprinz Nov 22, 2016
937b739
fix tests
jhprinz Nov 23, 2016
337a273
Merge branch 'master' of github.com:choderalab/openpathsampling into …
jhprinz Nov 23, 2016
8af2aa0
Merge branch 'onlyuuid' into haluuid
jhprinz Nov 23, 2016
89dfce2
Merge branch 'onlyuuid' into haluuid
jhprinz Nov 23, 2016
9f3894f
Merge branch 'onlyuuid' into haluuid
jhprinz Nov 23, 2016
61f1846
Merge branch 'onlyuuid' into haluuid
jhprinz Nov 23, 2016
1a49c37
fix iter
jhprinz Nov 24, 2016
6003cd1
fix iter
jhprinz Nov 25, 2016
722228c
add file to recreate a setup with new initial paths
jhprinz Nov 25, 2016
1122ba6
add file to recreate a setup with new initial paths
jhprinz Nov 25, 2016
851f3d2
fix
jhprinz Nov 28, 2016
75b728d
remove print
jhprinz Nov 28, 2016
feb87c2
Merge branch 'onlyuuid' into haluuid
jhprinz Nov 28, 2016
76d36cb
Merge branch 'master' of github.com:choderalab/openpathsampling into …
jhprinz Dec 8, 2016
5b4beb3
allow multiple CV caches
jhprinz Dec 8, 2016
b4437cf
allow multiple CV caches
jhprinz Dec 8, 2016
ee63e90
fix glitch in transition
jhprinz Dec 8, 2016
f57db03
fix periodic distance function
jhprinz Dec 9, 2016
b51754a
fix periodic distance function
jhprinz Dec 9, 2016
f2b4a41
fix CUDA
jhprinz Dec 9, 2016
2169861
fix CUDA
jhprinz Dec 9, 2016
248883d
fix multi file
jhprinz Dec 9, 2016
be7d064
little cleanup
jhprinz Dec 9, 2016
099f584
Merge branch 'master' of github.com:choderalab/openpathsampling into …
jhprinz Dec 12, 2016
6ef291b
Merge branch 'onlyuuid' into haluuid
jhprinz Dec 12, 2016
e0862cd
Merge branch 'onlyuuid' into haluuid
jhprinz Dec 14, 2016
6ffd105
little updates
jhprinz Dec 14, 2016
11a98c5
fix ala example
jhprinz Dec 15, 2016
1a1a4e1
fix split
jhprinz Dec 15, 2016
da8ad63
joint script
jhprinz Dec 16, 2016
4776d05
update
jhprinz Dec 16, 2016
43bf55b
fix
jhprinz Dec 16, 2016
2706acc
smaller cutoff for WHAM
jhprinz Jan 3, 2017
a43e3da
Merge branch 'haluuid' into discreteengine
jhprinz Jan 10, 2017
b368d1d
little fixes
jhprinz Jan 14, 2017
8dacf21
Merge branch 'fixpmload' into discreteengine
jhprinz Mar 13, 2017
7da7d1d
Merge branch 'python3-jhp' into discreteengine
jhprinz Aug 13, 2017
bfbc703
updated NB
jhprinz Aug 14, 2017
17bd8ac
Merge branch 'master' into discreteengine
jhprinz Aug 14, 2017
609c838
fix travis.yml
jhprinz Aug 15, 2017
e67f705
Merge branch 'py3-fixes-1' into discreteengine
jhprinz Aug 15, 2017
7e2b343
nb changes
jhprinz Aug 16, 2017
00a8944
Merge branch 'master' into discreteengine
jhprinz Jun 18, 2018
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Merge branch 'master' of github.com:choderalab/openpathsampling into … 
…discreteengine
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@jhprinz
jhprinz committed Aug 13, 2016
commit ce33c08481b57795aee7c00b17fc4a8a2580c795

This merge commit was added into this branch cleanly.

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