pele-python pele issues

pele-python / pele

Python energy landscape explorer

Other

95 stars 41 forks source link

issues

Newest

Newest Most commented Recently updated Oldest Least commented Least recently updated

Installation issues: Need specific package versions

#177 AB-physics opened 1 week ago
1
How to only create a graph without a database?

#176 tessavdheiden opened 1 year ago
0
IndexError in disconnectivity_graph.py", line 643

#175 tessavdheiden opened 1 year ago
0
Missing an explicit mention to Cython dependency in documentation

#174 Martin-Floor opened 2 years ago
0
import gmin_ as GMIN; No module named gmin_

#173 JaniceLC opened 4 years ago
4
Error writing the sqlite database file

#172 ganapatinatarajan opened 5 years ago
0
Use Charged Molecule with (Charged?) LJ Potentials

#171 WCEdison opened 5 years ago
5
Conflict with munkres 1.1.2

#170 WCEdison closed 5 years ago
2
Compatibility fix for config parser for both python 2 and python 3 to…

#169 WCEdison closed 5 years ago
1
Error with GUI

#168 WCEdison closed 5 years ago
4
hungarian package installation

#167 woodg07 opened 5 years ago
3
Add MIT licence for non-code content

#166 js850 closed 5 years ago
3
License for images?

#165 davidlmobley closed 5 years ago
4
Python3 2

#164 farrelljd closed 5 years ago
8
a

#163 dluke closed 5 years ago
0
Python3

#162 farrelljd closed 5 years ago
7
Error installing in ubuntu 18.04.1 LTS

#161 WCEdison closed 5 years ago
3
Query about Pele and McPele

#160 MamtaMohan opened 6 years ago
0
Fix travis tests

#159 js850 closed 6 years ago
0
Update _pele.pxd

#158 lenhsherr closed 6 years ago
2
Installation errors on MacOS X

#157 apal90 opened 6 years ago
4
Ceres solver

#156 smcantab opened 7 years ago
1
Parallelization

#155 gasteigerjo opened 7 years ago
0
Combined distance policy

#154 gasteigerjo opened 7 years ago
0
Stochastic minimisation

#153 kjs73 closed 1 year ago
9
Rectangular cell lists

#152 kjs73 closed 8 years ago
5
Attempts to solve gfort issue

#151 kjs73 closed 8 years ago
2
Invstill poly

#150 smcantab closed 8 years ago
9
Division by zero

#149 kjs73 closed 8 years ago
3
Get a DOI code for pele

#148 smcantab opened 8 years ago
1
replace python LowestEigPotential with cpp version

#147 smcantab closed 8 years ago
4
FindLowestEigenvector cannot set parameter from system class

#146 smcantab closed 8 years ago
1
Minimizer associated with NEB

#145 smcantab closed 8 years ago
3
Inverse power updates

#144 kjs73 closed 8 years ago
4
Pspin tensorflow potential

#143 smcantab closed 8 years ago
7
Gauss traj compatibility

#142 kjs73 closed 8 years ago
1
Formatting

#141 kjs73 closed 1 year ago
0
Pspin dgraphs

#140 smcantab closed 8 years ago
29
Matplotlib update to version 2.0

#139 khs26 opened 8 years ago
4
Implementation of mean field p-spin glass potential

#138 smcantab closed 8 years ago
34
Update pele because networkx remove *iter functions

#137 js850 closed 9 years ago
1
sorting of nx connected components

#136 andyballard closed 9 years ago
3
change abs to std::abs, change variable name

#135 kjs73 closed 9 years ago
2
travis: migrating from legacy to container-based infrastructure

#134 js850 opened 9 years ago
1
fixes because networkx changed connected_components

#133 js850 closed 9 years ago
1
Gauss potentials

#132 kjs73 closed 9 years ago
15
fixed pressure_tensor cython interface

#131 smcantab closed 9 years ago
2
Pressure tensor

#130 kjs73 closed 9 years ago
17
Pressure tensor

#129 smcantab closed 9 years ago
4
stop saving the eigenvectors in the database

#128 js850 closed 9 years ago
2