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bem4solvation
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pbj
Bempp and Jupyter based Poisson-Boltzmann electrostatics solver
MIT License
4
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Update mesh_tools.py
#22
MartinAchondo
closed
2 months ago
0
Added scikit-optimize and update docker image
#21
pescap
closed
3 months ago
0
added pbj + pandas to pbj image
#20
pescap
closed
5 months ago
0
Nonpolar energy
#19
cdcooper84
closed
6 months ago
0
Potential inside
#18
cdcooper84
closed
8 months ago
0
Phi ens
#17
cdcooper84
closed
9 months ago
0
stern_example
#16
pescap
opened
1 year ago
1
slic_example
#15
pescap
opened
1 year ago
1
TypeError in test_verification
#14
pescap
opened
1 year ago
1
undefined name
#13
pescap
opened
1 year ago
2
Support for Docker
#12
pescap
closed
1 year ago
1
updated all formulations to new call for calculate_potential
#11
cdcooper84
closed
1 year ago
0
added direct_amoeba.py
#10
cdcooper84
closed
1 year ago
0
Refactor calculate potential
#9
cdcooper84
closed
1 year ago
1
fixed preconditioner and multi molecule for stern
#8
cdcooper84
closed
1 year ago
0
Out potential
#7
cdcooper84
closed
1 year ago
0
New force
#6
iaddison-smith
closed
1 year ago
0
Polarizable
#5
cdcooper84
closed
2 years ago
0
Added force calculation
#4
iaddison-smith
closed
2 years ago
0
Direct stern and slic imp
#3
kstylesc
closed
2 years ago
0
Missing preconditioners for direct_external and direct_external_permuted formulations
#2
SDSearch
opened
2 years ago
0
Solute imp
#1
kstylesc
closed
2 years ago
0