issues
search
PCMSolver
/
pcmsolver
An API for the Polarizable Continuum Model
http://pcmsolver.readthedocs.io/
GNU Lesser General Public License v3.0
32
stars
21
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
tests not linking to zlib
#157
loriab
closed
6 years ago
0
Fix calculation of S matrix inverse
#156
robertodr
closed
6 years ago
2
Update citation.bib with Zenodo DOI
#155
robertodr
closed
6 years ago
2
Restructure branches to reflect what we present in paper
#154
arnfinn
closed
6 years ago
21
Minor clean-up in Meddle object
#153
robertodr
closed
6 years ago
4
Move import of local docopt in try block
#152
robertodr
closed
6 years ago
2
Initialize raw pointer data members with nullptr
#151
robertodr
closed
6 years ago
2
Insert spaces after markup commands
#150
robertodr
closed
6 years ago
2
Revise fortran example
#149
robertodr
closed
6 years ago
2
Move metarepo from gitlab to github
#148
arnfinn
closed
6 years ago
5
Finish up CII Best Practices entry
#147
robertodr
opened
6 years ago
0
[WIP] Refactor input parsing
#146
robertodr
closed
3 years ago
2
Remove one library from link line of C_host
#145
robertodr
closed
6 years ago
2
Add examples of C, C++ and Fortran hosts linking PCMSolver
#144
robertodr
opened
6 years ago
0
FIx handling of pcmsolver.f90 file
#143
robertodr
closed
6 years ago
3
Remove DTOR and operator<< from derived classes
#142
robertodr
closed
6 years ago
2
Refactor doc generation
#141
robertodr
closed
6 years ago
4
[WIP] TsLess cavity, take 3
#140
robertodr
opened
6 years ago
1
PCMSolver v2.Y.Z wishlist
#139
robertodr
opened
6 years ago
0
Replace Odeint with in-house Runge-Kutta 4th order integrator
#138
robertodr
opened
6 years ago
7
OpenMP threading in Eigen and linking against BLAS/LAPACK
#137
robertodr
opened
6 years ago
0
Profiling infrastructure
#136
robertodr
closed
6 years ago
3
[WIP] Use runtest to run the standalone tests
#135
robertodr
closed
3 years ago
2
Add more tests for the spherical diffuse interface
#134
robertodr
closed
6 years ago
2
Versioning script
#133
robertodr
closed
6 years ago
2
Install docopt with PCMSolver
#132
robertodr
closed
6 years ago
2
Rewrite macro to add Catch test, take 2
#131
robertodr
closed
6 years ago
3
Rewrite macro to add Catch test
#130
robertodr
closed
6 years ago
5
Document the branching model and release process
#129
arnfinn
closed
6 years ago
5
Fix versioning regex
#128
robertodr
closed
6 years ago
3
Add test for log profile
#127
arnfinn
closed
6 years ago
1
Document template paramteters in Green's functions
#126
robertodr
opened
6 years ago
0
Rewrite add_Catch_test using cmake_parse_arguments
#125
robertodr
closed
6 years ago
1
Membrane profiles with diffuse Green's functions
#124
robertodr
opened
6 years ago
0
Update the publication list
#123
arnfinn
closed
6 years ago
6
Fix MACOSX_RPATH (again)
#122
arnfinn
closed
6 years ago
2
Fixes for installation
#121
robertodr
closed
6 years ago
3
Update publication list
#120
arnfinn
closed
6 years ago
0
Replaced a "warning" with "note" in doc
#119
arnfinn
closed
6 years ago
1
Fix MACOSX_RPATH
#118
arnfinn
closed
6 years ago
1
Fix visibility of symbols and RPATH
#117
robertodr
closed
6 years ago
1
Wrong files installed under bin/
#116
yurivict
closed
6 years ago
2
Make plot_cavity.py Python 3 compatible
#115
robertodr
closed
6 years ago
1
Remove re-declaration of operator<< for Sphere
#114
robertodr
closed
6 years ago
1
Updates before the new year
#113
robertodr
closed
6 years ago
1
In pcmsolver.py separate the __main__ part from the library part
#112
bast
closed
6 years ago
1
Consider making scripts such as pcmsolver.py configuration-state-less
#111
bast
closed
6 years ago
2
Introduce pcmsolver/__init__.py
#110
bast
closed
6 years ago
10
Logarithmic scale for integration of the spherical diffuse green's function
#109
ilfreddy
closed
6 years ago
4
Consider generating Doxyfile from Python, instead of configuring a template
#108
robertodr
closed
6 years ago
1
Previous
Next