diff --git a/src/EXTRA-DUMP/dump_dcd.cpp b/src/EXTRA-DUMP/dump_dcd.cpp index 268c273064..971c120fa5 100644 --- a/src/EXTRA-DUMP/dump_dcd.cpp +++ b/src/EXTRA-DUMP/dump_dcd.cpp @@ -78,7 +78,7 @@ DumpDCD::DumpDCD(LAMMPS *lmp, int narg, char **arg) : Dump(lmp, narg, arg), yf = &coords[1*natoms]; zf = &coords[2*natoms]; - openfile(); + DumpDCD::openfile(); headerflag = 0; nevery_save = 0; ntotal = 0; diff --git a/src/EXTRA-DUMP/dump_xtc.cpp b/src/EXTRA-DUMP/dump_xtc.cpp index 5f7016ee50..7de6d03561 100644 --- a/src/EXTRA-DUMP/dump_xtc.cpp +++ b/src/EXTRA-DUMP/dump_xtc.cpp @@ -92,7 +92,7 @@ DumpXTC::DumpXTC(LAMMPS *lmp, int narg, char **arg) : Dump(lmp, narg, arg), "format conventions possible for units lj"); } - openfile(); + DumpXTC::openfile(); nevery_save = 0; ntotal = 0; } diff --git a/src/EXTRA-FIX/fix_ffl.cpp b/src/EXTRA-FIX/fix_ffl.cpp index fc7c986ce3..9cc9d4e179 100644 --- a/src/EXTRA-FIX/fix_ffl.cpp +++ b/src/EXTRA-FIX/fix_ffl.cpp @@ -110,7 +110,7 @@ FixFFL::FixFFL(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) // allocates space for temporaries ffl_tmp1=ffl_tmp2=nullptr; - grow_arrays(atom->nmax); + FixFFL::grow_arrays(atom->nmax); // add callbacks to enable restarts atom->add_callback(Atom::GROW); diff --git a/src/EXTRA-FIX/fix_filter_corotate.cpp b/src/EXTRA-FIX/fix_filter_corotate.cpp index a398491df5..50ce65bac0 100644 --- a/src/EXTRA-FIX/fix_filter_corotate.cpp +++ b/src/EXTRA-FIX/fix_filter_corotate.cpp @@ -155,7 +155,7 @@ FixFilterCorotate::FixFilterCorotate(LAMMPS *lmp, int narg, char **arg) : shake_atom = nullptr; shake_type = nullptr; - grow_arrays(atom->nmax); + FixFilterCorotate::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); //calls grow_arrays x_store = nullptr; diff --git a/src/EXTRA-FIX/fix_gld.cpp b/src/EXTRA-FIX/fix_gld.cpp index 2e30882206..3f807d0f51 100644 --- a/src/EXTRA-FIX/fix_gld.cpp +++ b/src/EXTRA-FIX/fix_gld.cpp @@ -91,7 +91,7 @@ FixGLD::FixGLD(LAMMPS *lmp, int narg, char **arg) : memory->create(prony_tau, prony_terms, "gld:prony_tau"); // allocate memory for Prony series extended variables s_gld = nullptr; - grow_arrays(atom->nmax); + FixGLD::grow_arrays(atom->nmax); // add callbacks to enable restarts atom->add_callback(Atom::GROW); atom->add_callback(Atom::RESTART); diff --git a/src/EXTRA-FIX/fix_gle.cpp b/src/EXTRA-FIX/fix_gle.cpp index 563295d8c1..8f31613188 100644 --- a/src/EXTRA-FIX/fix_gle.cpp +++ b/src/EXTRA-FIX/fix_gle.cpp @@ -350,7 +350,7 @@ FixGLE::FixGLE(LAMMPS *lmp, int narg, char **arg) : // allocates space for temporaries gle_tmp1=gle_tmp2=nullptr; - grow_arrays(atom->nmax); + FixGLE::grow_arrays(atom->nmax); init_gles(); // add callbacks to enable restarts diff --git a/src/EXTRA-FIX/fix_ti_spring.cpp b/src/EXTRA-FIX/fix_ti_spring.cpp index c6a3ed47ea..231da9e8ee 100644 --- a/src/EXTRA-FIX/fix_ti_spring.cpp +++ b/src/EXTRA-FIX/fix_ti_spring.cpp @@ -77,7 +77,7 @@ FixTISpring::FixTISpring(LAMMPS *lmp, int narg, char **arg) : // Perform initial allocation of atom-based array // Register with Atom class xoriginal = nullptr; - grow_arrays(atom->nmax); + FixTISpring::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); atom->add_callback(Atom::RESTART); diff --git a/src/EXTRA-FIX/fix_tmd.cpp b/src/EXTRA-FIX/fix_tmd.cpp index 335c1a5e6b..a46eb89713 100644 --- a/src/EXTRA-FIX/fix_tmd.cpp +++ b/src/EXTRA-FIX/fix_tmd.cpp @@ -56,7 +56,7 @@ nfileevery(0), fp(nullptr), xf(nullptr), xold(nullptr) // perform initial allocation of atom-based arrays // register with Atom class - grow_arrays(atom->nmax); + FixTMD::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); // make sure an atom map exists before reading in target coordinates diff --git a/src/EXTRA-FIX/fix_ttm.cpp b/src/EXTRA-FIX/fix_ttm.cpp index a8db3ad9de..05727d8648 100644 --- a/src/EXTRA-FIX/fix_ttm.cpp +++ b/src/EXTRA-FIX/fix_ttm.cpp @@ -142,7 +142,7 @@ FixTTM::FixTTM(LAMMPS *lmp, int narg, char **arg) : // allocate per-atom flangevin and zero it flangevin = nullptr; - grow_arrays(atom->nmax); + FixTTM::grow_arrays(atom->nmax); for (int i = 0; i < atom->nmax; i++) { flangevin[i][0] = 0.0; @@ -173,7 +173,7 @@ FixTTM::~FixTTM() memory->destroy(flangevin); - if (!deallocate_flag) deallocate_grid(); + if (!deallocate_flag) FixTTM::deallocate_grid(); } /* ---------------------------------------------------------------------- */ diff --git a/src/EXTRA-FIX/fix_ttm_grid.cpp b/src/EXTRA-FIX/fix_ttm_grid.cpp index 3c1c1b2695..cbefc09aef 100644 --- a/src/EXTRA-FIX/fix_ttm_grid.cpp +++ b/src/EXTRA-FIX/fix_ttm_grid.cpp @@ -55,7 +55,7 @@ FixTTMGrid::FixTTMGrid(LAMMPS *lmp, int narg, char **arg) : FixTTMGrid::~FixTTMGrid() { - deallocate_grid(); + FixTTMGrid::deallocate_grid(); deallocate_flag = 1; } diff --git a/src/KSPACE/pppm.cpp b/src/KSPACE/pppm.cpp index c54a115ab2..b6739d43fd 100644 --- a/src/KSPACE/pppm.cpp +++ b/src/KSPACE/pppm.cpp @@ -174,9 +174,9 @@ PPPM::~PPPM() if (copymode) return; delete [] factors; - deallocate(); - if (peratom_allocate_flag) deallocate_peratom(); - if (group_allocate_flag) deallocate_groups(); + PPPM::deallocate(); + if (peratom_allocate_flag) PPPM::deallocate_peratom(); + if (group_allocate_flag) PPPM::deallocate_groups(); memory->destroy(part2grid); memory->destroy(acons); } diff --git a/src/KSPACE/pppm_dipole.cpp b/src/KSPACE/pppm_dipole.cpp index c2e6eca585..a39973c6ae 100644 --- a/src/KSPACE/pppm_dipole.cpp +++ b/src/KSPACE/pppm_dipole.cpp @@ -88,8 +88,8 @@ PPPMDipole::~PPPMDipole() { if (copymode) return; - deallocate(); - if (peratom_allocate_flag) deallocate_peratom(); + PPPMDipole::deallocate(); + if (peratom_allocate_flag) PPPMDipole::deallocate_peratom(); } /* ---------------------------------------------------------------------- diff --git a/src/KSPACE/pppm_disp.cpp b/src/KSPACE/pppm_disp.cpp index 530995cae2..a523fcce9e 100644 --- a/src/KSPACE/pppm_disp.cpp +++ b/src/KSPACE/pppm_disp.cpp @@ -245,8 +245,8 @@ PPPMDisp::~PPPMDisp() cii = nullptr; delete [] csumi; csumi = nullptr; - deallocate(); - deallocate_peratom(); + PPPMDisp::deallocate(); + PPPMDisp::deallocate_peratom(); memory->destroy(part2grid); memory->destroy(part2grid_6); part2grid = part2grid_6 = nullptr; diff --git a/src/MISC/fix_srp.cpp b/src/MISC/fix_srp.cpp index 35ee162fc9..393be42bb2 100644 --- a/src/MISC/fix_srp.cpp +++ b/src/MISC/fix_srp.cpp @@ -57,7 +57,7 @@ FixSRP::FixSRP(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) // initial allocation of atom-based array // register with Atom class array = nullptr; - grow_arrays(atom->nmax); + FixSRP::grow_arrays(atom->nmax); // extends pack_exchange() atom->add_callback(Atom::GROW); diff --git a/src/MOLECULE/fix_cmap.cpp b/src/MOLECULE/fix_cmap.cpp index fb1ead126b..4bc035fdf5 100644 --- a/src/MOLECULE/fix_cmap.cpp +++ b/src/MOLECULE/fix_cmap.cpp @@ -112,7 +112,7 @@ FixCMAP::FixCMAP(LAMMPS *lmp, int narg, char **arg) : crossterm_atom5 = nullptr; nmax_previous = 0; - grow_arrays(atom->nmax); + FixCMAP::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); atom->add_callback(Atom::RESTART); diff --git a/src/RIGID/fix_ehex.cpp b/src/RIGID/fix_ehex.cpp index f0c633c7a8..866d5b81b7 100644 --- a/src/RIGID/fix_ehex.cpp +++ b/src/RIGID/fix_ehex.cpp @@ -129,7 +129,7 @@ FixEHEX::FixEHEX(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg), scale = 1.0; scalingmask = nullptr; - grow_arrays(atom->nmax); + FixEHEX::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); } diff --git a/src/RIGID/fix_rattle.cpp b/src/RIGID/fix_rattle.cpp index 9bd391d26d..9143c48116 100644 --- a/src/RIGID/fix_rattle.cpp +++ b/src/RIGID/fix_rattle.cpp @@ -62,7 +62,7 @@ FixRattle::FixRattle(LAMMPS *lmp, int narg, char **arg) : // allocate memory for unconstrained velocity update vp = nullptr; - grow_arrays(atom->nmax); + FixRattle::grow_arrays(atom->nmax); // default communication mode // necessary for compatibility with SHAKE diff --git a/src/RIGID/fix_rigid.cpp b/src/RIGID/fix_rigid.cpp index 461574a034..6f3486945c 100644 --- a/src/RIGID/fix_rigid.cpp +++ b/src/RIGID/fix_rigid.cpp @@ -82,7 +82,7 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) : eflags = nullptr; orient = nullptr; dorient = nullptr; - grow_arrays(atom->nmax); + FixRigid::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); // parse args for rigid body specification diff --git a/src/RIGID/fix_rigid_small.cpp b/src/RIGID/fix_rigid_small.cpp index 4a9a74f225..40bfc3ce2d 100644 --- a/src/RIGID/fix_rigid_small.cpp +++ b/src/RIGID/fix_rigid_small.cpp @@ -89,7 +89,7 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) : eflags = nullptr; orient = nullptr; dorient = nullptr; - grow_arrays(atom->nmax); + FixRigidSmall::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); // parse args for rigid body specification diff --git a/src/RIGID/fix_shake.cpp b/src/RIGID/fix_shake.cpp index 709327b1d6..f1c1d30fc5 100644 --- a/src/RIGID/fix_shake.cpp +++ b/src/RIGID/fix_shake.cpp @@ -84,7 +84,7 @@ FixShake::FixShake(LAMMPS *lmp, int narg, char **arg) : ftmp = nullptr; vtmp = nullptr; - grow_arrays(atom->nmax); + FixShake::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); // set comm size needed by this fix diff --git a/src/atom.cpp b/src/atom.cpp index 5cb48a17df..f9203b1b62 100644 --- a/src/atom.cpp +++ b/src/atom.cpp @@ -351,7 +351,7 @@ Atom::~Atom() // delete mapping data structures - map_delete(); + Atom::map_delete(); delete unique_tags; } diff --git a/src/comm_brick.cpp b/src/comm_brick.cpp index ab1b27f1b2..3179a039b0 100644 --- a/src/comm_brick.cpp +++ b/src/comm_brick.cpp @@ -60,14 +60,14 @@ CommBrick::CommBrick(LAMMPS *lmp) : CommBrick::~CommBrick() { - free_swap(); + CommBrick::free_swap(); if (mode == Comm::MULTI) { - free_multi(); + CommBrick::free_multi(); memory->destroy(cutghostmulti); } if (mode == Comm::MULTIOLD) { - free_multiold(); + CommBrick::free_multiold(); memory->destroy(cutghostmultiold); } @@ -112,12 +112,12 @@ void CommBrick::init_buffers() buf_send = buf_recv = nullptr; maxsend = maxrecv = BUFMIN; - grow_send(maxsend,2); + CommBrick::grow_send(maxsend,2); memory->create(buf_recv,maxrecv,"comm:buf_recv"); nswap = 0; maxswap = 6; - allocate_swap(maxswap); + CommBrick::allocate_swap(maxswap); sendlist = (int **) memory->smalloc(maxswap*sizeof(int *),"comm:sendlist"); memory->create(maxsendlist,maxswap,"comm:maxsendlist"); diff --git a/src/fix_ave_atom.cpp b/src/fix_ave_atom.cpp index 1b55e65bb1..1e30761274 100644 --- a/src/fix_ave_atom.cpp +++ b/src/fix_ave_atom.cpp @@ -177,7 +177,7 @@ FixAveAtom::FixAveAtom(LAMMPS *lmp, int narg, char **arg) : // perform initial allocation of atom-based array // register with Atom class - grow_arrays(atom->nmax); + FixAveAtom::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); // zero the array since dump may access it on timestep 0 diff --git a/src/fix_external.cpp b/src/fix_external.cpp index f95c30c28d..ecc1aaa670 100644 --- a/src/fix_external.cpp +++ b/src/fix_external.cpp @@ -61,7 +61,7 @@ FixExternal::FixExternal(LAMMPS *lmp, int narg, char **arg) : // perform initial allocation of atom-based array // register with Atom class - grow_arrays(atom->nmax); + FixExternal::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); user_energy = 0.0; diff --git a/src/fix_langevin.cpp b/src/fix_langevin.cpp index 92fa6a42c5..ef1cb4eeaf 100644 --- a/src/fix_langevin.cpp +++ b/src/fix_langevin.cpp @@ -178,7 +178,7 @@ FixLangevin::FixLangevin(LAMMPS *lmp, int narg, char **arg) : // no need to set peratom_flag, b/c data is for internal use only if (gjfflag) { - grow_arrays(atom->nmax); + FixLangevin::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); // initialize franprev to zero diff --git a/src/fix_move.cpp b/src/fix_move.cpp index 2cd945f082..fdf22fd6d0 100644 --- a/src/fix_move.cpp +++ b/src/fix_move.cpp @@ -246,7 +246,7 @@ FixMove::FixMove(LAMMPS *lmp, int narg, char **arg) : // perform initial allocation of atom-based array // register with Atom class - grow_arrays(atom->nmax); + FixMove::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); atom->add_callback(Atom::RESTART); diff --git a/src/fix_neigh_history.cpp b/src/fix_neigh_history.cpp index 4ff7e7841b..64b1db018d 100644 --- a/src/fix_neigh_history.cpp +++ b/src/fix_neigh_history.cpp @@ -66,7 +66,7 @@ FixNeighHistory::FixNeighHistory(LAMMPS *lmp, int narg, char **arg) : // perform initial allocation of atom-based arrays // register with atom class - grow_arrays(atom->nmax); + FixNeighHistory::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); atom->add_callback(Atom::RESTART); diff --git a/src/fix_property_atom.cpp b/src/fix_property_atom.cpp index 6864b1f843..8fcb0f2af0 100644 --- a/src/fix_property_atom.cpp +++ b/src/fix_property_atom.cpp @@ -181,7 +181,7 @@ FixPropertyAtom::FixPropertyAtom(LAMMPS *lmp, int narg, char **arg) : // register with Atom class nmax_old = 0; - if (!lmp->kokkos) grow_arrays(atom->nmax); + if (!lmp->kokkos) FixPropertyAtom::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); atom->add_callback(Atom::RESTART); if (border) atom->add_callback(Atom::BORDER); diff --git a/src/fix_read_restart.cpp b/src/fix_read_restart.cpp index 1b22144643..20daa94f84 100644 --- a/src/fix_read_restart.cpp +++ b/src/fix_read_restart.cpp @@ -32,7 +32,7 @@ FixReadRestart::FixReadRestart(LAMMPS *lmp, int narg, char **arg) : // perform initial allocation of atom-based array // register with Atom class - grow_arrays(atom->nmax); + FixReadRestart::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); // extra = copy of atom->extra diff --git a/src/fix_respa.cpp b/src/fix_respa.cpp index 64cd44ed42..dba09b3c78 100644 --- a/src/fix_respa.cpp +++ b/src/fix_respa.cpp @@ -44,7 +44,7 @@ FixRespa::FixRespa(LAMMPS *lmp, int narg, char **arg) : f_level = nullptr; t_level = nullptr; - grow_arrays(atom->nmax); + FixRespa::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); } diff --git a/src/fix_spring_self.cpp b/src/fix_spring_self.cpp index 43fe9e40b6..5ea8bffd01 100644 --- a/src/fix_spring_self.cpp +++ b/src/fix_spring_self.cpp @@ -73,7 +73,7 @@ FixSpringSelf::FixSpringSelf(LAMMPS *lmp, int narg, char **arg) : // register with Atom class xoriginal = nullptr; - grow_arrays(atom->nmax); + FixSpringSelf::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); atom->add_callback(Atom::RESTART); diff --git a/src/fix_store.cpp b/src/fix_store.cpp index c54e8b84be..eb23fbad97 100644 --- a/src/fix_store.cpp +++ b/src/fix_store.cpp @@ -82,7 +82,7 @@ vstore(nullptr), astore(nullptr), rbuf(nullptr) memory->create(rbuf,nrow*ncol+2,"fix/store:rbuf"); } if (flavor == PERATOM) { - grow_arrays(atom->nmax); + FixStore::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); if (restart_peratom) atom->add_callback(Atom::RESTART); rbuf = nullptr; diff --git a/src/fix_store_state.cpp b/src/fix_store_state.cpp index 1d3d48a06b..ab2234e222 100644 --- a/src/fix_store_state.cpp +++ b/src/fix_store_state.cpp @@ -338,7 +338,7 @@ FixStoreState::FixStoreState(LAMMPS *lmp, int narg, char **arg) : // register with Atom class values = nullptr; - grow_arrays(atom->nmax); + FixStoreState::grow_arrays(atom->nmax); atom->add_callback(Atom::GROW); atom->add_callback(Atom::RESTART); @@ -354,7 +354,7 @@ FixStoreState::FixStoreState(LAMMPS *lmp, int narg, char **arg) : kflag = 1; cfv_flag = 0; - end_of_step(); + FixStoreState::end_of_step(); firstflag = 1; } diff --git a/src/region.cpp b/src/region.cpp index 750677ad8f..eba9f48510 100644 --- a/src/region.cpp +++ b/src/region.cpp @@ -42,7 +42,7 @@ Region::Region(LAMMPS *lmp, int /*narg*/, char **arg) : dx = dy = dz = 0.0; size_restart = 5; - reset_vel(); + Region::reset_vel(); copymode = 0; list = nullptr; nregion = 1; diff --git a/src/region_cylinder.cpp b/src/region_cylinder.cpp index efa13bd02a..033a2eeae4 100644 --- a/src/region_cylinder.cpp +++ b/src/region_cylinder.cpp @@ -117,7 +117,7 @@ RegCylinder::RegCylinder(LAMMPS *lmp, int narg, char **arg) : if (varshape) { variable_check(); - shape_update(); + RegCylinder::shape_update(); } if (strcmp(arg[6],"INF") == 0 || strcmp(arg[6],"EDGE") == 0) { diff --git a/src/region_sphere.cpp b/src/region_sphere.cpp index 18493c258a..b2c844c986 100644 --- a/src/region_sphere.cpp +++ b/src/region_sphere.cpp @@ -74,7 +74,7 @@ RegSphere::RegSphere(LAMMPS *lmp, int narg, char **arg) : if (varshape) { variable_check(); - shape_update(); + RegSphere::shape_update(); } // error check