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Merge branch 'master' into bond/react-efficient-competing_reactions

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This commit is contained in:
Jacob Gissinger
2018-09-04 22:34:04 -06:00
committed by GitHub
parent a5f7b418de 09ef2bc829
commit efd81a2854
566 changed files with 24680 additions and 1206 deletions
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7
src/USER-MISC/fix_bond_react.cpp
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@ -588,7 +588,7 @@ void FixBondReact::init()
/* ---------------------------------------------------------------------- */
void FixBondReact::init_list(int id, NeighList *ptr)
void FixBondReact::init_list(int /*id*/, NeighList *ptr)
{
list = ptr;
}
@ -1558,7 +1558,6 @@ void FixBondReact::find_landlocked_atoms(int myrxn)
// would someone want to change an angle type but not bond or atom types? (etc.) ...hopefully not yet
for (int i = 0; i < twomol->natoms; i++) {
if (landlocked_atoms[i][myrxn] == 0) {
int twomol_atomi = i+1;
for (int j = 0; j < twomol->num_bond[i]; j++) {
int twomol_atomj = twomol->bond_atom[i][j];
if (landlocked_atoms[twomol_atomj-1][myrxn] == 0) {
@ -2632,7 +2631,7 @@ double FixBondReact::compute_vector(int n)
/* ---------------------------------------------------------------------- */
void FixBondReact::post_integrate_respa(int ilevel, int iloop)
void FixBondReact::post_integrate_respa(int ilevel, int /*iloop*/)
{
if (ilevel == nlevels_respa-1) post_integrate();
}
@ -2640,7 +2639,7 @@ void FixBondReact::post_integrate_respa(int ilevel, int iloop)
/* ---------------------------------------------------------------------- */
int FixBondReact::pack_forward_comm(int n, int *list, double *buf,
int pbc_flag, int *pbc)
int /*pbc_flag*/, int * /*pbc*/)
{
int i,j,k,m,ns;