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fix compiler errors

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This commit is contained in:
Steve Plimpton
2021-12-20 14:26:22 -07:00
parent 5ead32f886
commit 06c45fbe68
2 changed files with 8 additions and 4 deletions
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9
src/input.cpp
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@ -27,9 +27,11 @@
#include "dihedral.h" #include "dihedral.h"
#include "domain.h" #include "domain.h"
#include "error.h" #include "error.h"
#include "fix.h"
#include "force.h" #include "force.h"
#include "group.h" #include "group.h"
#include "improper.h" #include "improper.h"
#include "integrate.h"
#include "kspace.h" #include "kspace.h"
#include "memory.h" #include "memory.h"
#include "min.h" #include "min.h"
@ -1841,11 +1843,12 @@ void Input::timestep()
update->dt = utils::numeric(FLERR,arg[0],false,lmp); update->dt = utils::numeric(FLERR,arg[0],false,lmp);
update->dt_default = 0; update->dt_default = 0;
if (update->first_update == 0) return; // timestep command can be invoked between runs or by run every
// calls to other classes that need to know timestep size changed // calls to other classes that need to know timestep size changed
// similar logic is in FixDtReset::end_of_step() // similar logic is in FixDtReset::end_of_step()
// only if a run has already occurred // only need to do this if a run has already occurred
if (update->first_update == 0) return;
int respaflag = 0; int respaflag = 0;
if (utils::strmatch(update->integrate_style, "^respa")) respaflag = 1; if (utils::strmatch(update->integrate_style, "^respa")) respaflag = 1;

3
src/output.cpp
View File

@ -580,7 +580,8 @@ void Output::reset_timestep(bigint ntimestep)
next_dump_any = MAXBIGINT; next_dump_any = MAXBIGINT;
for (int idump = 0; idump < ndump; idump++) for (int idump = 0; idump < ndump; idump++)
if (last_dump[idump] >= 0) if (last_dump[idump] >= 0)
error->all("Cannot reset timestep with active dump - must undump first"); error->all(FLERR,
"Cannot reset timestep with active dump - must undump first");
if (restart_flag_single) { if (restart_flag_single) {
if (restart_every_single) { if (restart_every_single) {