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#include <memory>
#include "gromacs/math/vectypes.h"
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This file declares the class that coordinates with VMD via the Interactive Molecular Dynamics protocol, along with supporting free functions.

Martin Hoefling, Carsten Kutzner


class  gmx::ArrayRef< typename >
 STL-like interface to a C array of T (or part of a std container of T). More...


std::unique_ptr< IMDModule > gmx::createInteractiveMolecularDynamicsModule ()
 Creates a module for interactive molecular dynamics.
void gmx::write_IMDgroup_to_file (bool bIMD, t_inputrec *ir, const t_state *state, const gmx_mtop_t &sys, int nfile, const t_filenm fnm[])
 Writes out the group of atoms selected for interactive manipulation. More...
std::unique_ptr< ImdSession > gmx::makeImdSession (const t_inputrec *ir, const t_commrec *cr, gmx_wallcycle *wcycle, gmx_enerdata_t *enerd, const gmx_multisim_t *ms, const gmx_mtop_t &top_global, const MDLogger &mdlog, gmx::ArrayRef< const gmx::RVec > coords, int nfile, const t_filenm fnm[], const gmx_output_env_t *oenv, const ImdOptions &options, StartingBehavior startingBehavior)
 Makes and returns an initialized IMD session, which may be inactive. More...


static const char gmx::IMDstr [] = "IMD:"
 Tag output from the IMD module with this string. More...