[OpenBabel-Devel] MMFF94s Is that a bug in OOP forces?

2013-02-28 Thread thanasio
in file : forcefield.cpp line : 3911 there are these 6 lines of code and one comment /* k = ((cn + (((-jk + ji * cos_theta) * sin_dl) / sin_theta)) / length_jk) / sin_theta; */ 1. VectorMultiply(ji, cos_theta, temp); 2. VectorSubtract(temp, jk, temp); 3. VectorSelfMultiply(temp, sin

Re: [OpenBabel-Devel] Can we contribute code to contributed/trunk/java?

2013-02-28 Thread Geoffrey Hutchison
> We'd like to contribute the code to the open source community, and were > wondering whether the OpenBabel project was appropriate, in particular, a > sub-directory of contributed/trunk/java? We'd definitely like to do that. Right now, we're moving the source code out of SourceForge and into G

[OpenBabel-Devel] GitHub Migration

2013-02-28 Thread Geoffrey Hutchison
Noel pointed out to me that the migration to the "new" SourceForge tracker, etc. did weird things to SVN. That is, the SourceForge code browser points at the "migrated" SVN, but the old SVN repository still exists. And all of us have been using it. > One thing I've found is that each project ha