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remove unused headers and dead code. reformat a few small items

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This commit is contained in:
Axel Kohlmeyer
2022-03-05 12:31:36 -05:00
parent c24e46c547
commit 43ac557a9b
2 changed files with 3 additions and 19 deletions
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15
src/EXTRA-COMPUTE/compute_pressure_cartesian.cpp
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@ -18,7 +18,6 @@
#include "domain.h"
#include "error.h"
#include "force.h"
#include "math_const.h"
#include "memory.h"
#include "modify.h"
#include "neigh_list.h"
@ -28,10 +27,8 @@
#include <cmath>
#include <cstring>
#include <mpi.h>
using namespace LAMMPS_NS;
using namespace MathConst;
/*-----------------------------------------------------------------------------------
Contributing author: Olav Galteland (Norwegian University of Science and Technology)
@ -90,9 +87,7 @@ ComputePressureCartesian::ComputePressureCartesian(LAMMPS *lmp, int narg, char *
if (bin_width1 <= 0.0)
error->all(FLERR, "Illegal compute pressure/cartesian command. Bin width must be > 0");
else if (bin_width1 > domain->boxhi[dir1] - domain->boxlo[dir1])
error->all(
FLERR,
"Illegal compute pressure/cartesian command. Bin width must be smaller than box size.");
error->all(FLERR, "Illegal compute pressure/cartesian command. Bin width larger than box.");
if (dims == 2) {
if (strcmp(arg[5], "x") == 0)
@ -111,9 +106,7 @@ ComputePressureCartesian::ComputePressureCartesian(LAMMPS *lmp, int narg, char *
if (bin_width2 <= 0.0)
error->all(FLERR, "Illegal compute pressure/cartesian command. Bin width must be > 0");
else if (bin_width2 > domain->boxhi[dir2] - domain->boxlo[dir2])
error->all(
FLERR,
"Illegal compute pressure/cartesian command. Bin width must be smaller than box size.");
error->all(FLERR, "Illegal compute pressure/cartesian command. Bin width larger than box");
}
for (int i = 0; i < 3; i++)
@ -199,10 +192,6 @@ void ComputePressureCartesian::init_list(int /* id */, NeighList *ptr)
void ComputePressureCartesian::compute_array()
{
//invoked_array = update->ntimestep;
int me;
MPI_Comm_rank(world, &me);
int i, j, ii, jj, inum, jnum, itype, jtype;
int bin, bin1, bin2, bin3;
tagint itag, jtag;

7
src/EXTRA-COMPUTE/compute_pressure_spherical.cpp
View File

@ -29,7 +29,6 @@
#include <cmath>
#include <cstring>
#include <mpi.h>
using namespace LAMMPS_NS;
using namespace MathConst;
@ -161,8 +160,6 @@ void ComputePressureSpherical::compute_array()
{
invoked_array = update->ntimestep;
int me;
MPI_Comm_rank(world, &me);
int bin;
// Zero arrays
for (int bin = 0; bin < nbins; bin++) {
@ -372,9 +369,7 @@ void ComputePressureSpherical::compute_array()
// Error check
if (fabs(l_sum - 1.0) > SMALL)
error->all(FLERR,
"ERROR: The sum of the fractional line segments, calculated in spherical "
"pressure tensor, does not sum up to 1.");
error->all(FLERR, "ERROR: The sum of the fractional line segments is not 1.0");
}
}