diff --git a/src/USER-COLVARS/fix_colvars.h b/src/USER-COLVARS/fix_colvars.h index 509eca5de35892b3094cf5749b7d6d088d7b0d18..3029ba9db541e095af265657d5f940998cce224f 100644 --- a/src/USER-COLVARS/fix_colvars.h +++ b/src/USER-COLVARS/fix_colvars.h @@ -34,7 +34,6 @@ FixStyle(colvars,FixColvars) #define LMP_FIX_COLVARS_H #include "fix.h" -#include <vector> // forward declaration class colvarproxy_lammps; @@ -77,13 +76,6 @@ class FixColvars : public Fix { int num_coords; // total number of atoms controlled by this fix tagint *taglist; // list of all atom IDs referenced by colvars. - // TODO get rid of these - // std::vector<cvm::atom_pos> *coords; // coordinates of colvar atoms - // std::vector<cvm::rvector> *forces; // received forces of colvar atoms - // std::vector<cvm::rvector> *oforce; // old total forces of colvar atoms - // std::vector<cvm::real> *masses; - // std::vector<cvm::real> *charges; - int nmax; // size of atom communication buffer. int size_one; // bytes per atom in communication buffer. struct commdata *comm_buf; // communication buffer