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pygbe
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pygbe
PyGBe: Python, GPUs and Boundary elements for electrostatics
http://pygbe.github.io/pygbe/docs
BSD 3-Clause "New" or "Revised" License
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Add slic
#93
cdcooper84
closed
1 year ago
0
External field
#92
UrzuaSergio
closed
2 years ago
0
Running 1PGB_mut_sensor
#91
JPayr
closed
2 years ago
5
Stern layer for a brick
#90
Marr575
opened
4 years ago
0
Minor corr: SyntaxError messages due to printing statements py2->py3
#89
govarguz
closed
4 years ago
1
Rhs bug fix - missing cross terms contributions - (plus add some pre-processing scripts )
#88
ncclementi
closed
4 years ago
0
GPU not detected
#87
Marr575
opened
4 years ago
1
Pygbe error message when it is execute from terminal Ubuntu 18
#86
Marr575
closed
4 years ago
4
Shared memory parallel version of PyGBe
#85
matiasmartineza
closed
2 years ago
0
scipy.misc.comb deprecated -> scipy.special.comb
#84
cdcooper84
closed
5 years ago
1
number of lines example 1PGB
#83
Marr575
closed
5 years ago
1
rotation protein example 1PGB
#82
Marr575
closed
4 years ago
5
electric current test Pygbe
#81
Marr575
closed
5 years ago
1
rotate protein
#80
Marr575
closed
5 years ago
0
metallic atoms
#79
Marr575
closed
5 years ago
1
Output of Pygbe
#78
Marr575
closed
5 years ago
2
comparison example lysozyme
#77
Marr575
closed
5 years ago
4
Does Pygbe run in Centos 7?
#76
Marr575
closed
5 years ago
1
Visualization of results
#75
Marr575
closed
5 years ago
2
Request help installation
#74
Marr575
closed
5 years ago
18
Fix typo in param files of examples
#73
ncclementi
closed
5 years ago
0
hw 2 mod 3 fix statement of 1-e)
#72
ncclementi
closed
6 years ago
2
Cython instead of SWIG and parallelization of CPU code.
#71
matiasmartineza
closed
6 years ago
1
Fix for failed doc builds
#70
gforsyth
closed
6 years ago
1
Fix bug on generateRHS
#69
ncclementi
closed
6 years ago
0
CPU mode is broken
#68
ostrokach
closed
6 years ago
2
Update develop
#67
ncclementi
closed
6 years ago
0
JOSS paper updates
#66
arfon
closed
7 years ago
1
Modify Dockerfile to install from master branch
#65
ncclementi
closed
7 years ago
0
Update develop with small change in master
#64
ncclementi
closed
7 years ago
0
Include changes requested for Joss acceptance
#63
ncclementi
closed
7 years ago
0
Add Docker file and update general docs for joss
#62
ncclementi
closed
7 years ago
0
Update develop with master
#61
ncclementi
closed
7 years ago
0
Fixed major PEP8 violation (long line) in main.py
#60
kyleniemeyer
closed
7 years ago
1
Formatting fixes to contributing.rst
#59
kyleniemeyer
closed
7 years ago
0
Minor bug on Contributing page in documentation
#58
kyleniemeyer
closed
7 years ago
0
Error in run_and_plot_lysozome_case.py
#57
kyleniemeyer
closed
7 years ago
9
Error running tests
#56
kyleniemeyer
closed
7 years ago
5
Wrong copy-paste in license?
#55
pareyesv
closed
7 years ago
1
LSPR application
#54
ncclementi
closed
7 years ago
0
Update reademe with develop
#53
ncclementi
closed
7 years ago
0
Write guidance on "when to cite what"
#52
ncclementi
opened
7 years ago
0
Update readme
#51
ncclementi
closed
7 years ago
2
PyGBe LSPR - Joss paper summary
#50
ncclementi
closed
7 years ago
1
Fix image path to render in gituhub
#49
ncclementi
closed
7 years ago
0
Lspr docs
#48
ncclementi
closed
7 years ago
4
LSPR refactor
#47
ncclementi
closed
7 years ago
2
LSPR contribution
#46
ncclementi
closed
7 years ago
2
small change to doctr deploy API
#45
gforsyth
closed
7 years ago
0
update lysozyme performance script
#44
gforsyth
closed
7 years ago
1
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