GitLab

Prevent memory from exploding when particles get too spread out

Fixed errors with Doxygen 1.8.16

Allow multiple matching templates if they assign identical parameters

make std::string pass as references, not values

Fixes _addIons behavior for membrane systems.

Avoid unnecessary force evaluation when computing kinetic energy

Restraint existing atoms during addHydrogens

Create BAOABLangevinIntegrator

Catch exception when cl::Platform::get() fails.

make non-primitave types pre increment instead of post increment

Do not register OpenCL platform if no implementations are available

Added L-BFGS to licenses file

Fixed range error when adding lone pairs from PSF file

Fixes addMembrane for large(r) systems

Fixes writing PDBx/mmCIF files with blank residue insertion codes.