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small cleanup

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This commit is contained in:
Axel Kohlmeyer
2024-08-13 06:39:47 -04:00
parent 164419bc1f
commit 0d968374b8
1 changed files with 5 additions and 15 deletions
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20
src/COLVARS/fix_colvars.cpp
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@ -42,9 +42,6 @@
#include "universe.h"
#include "update.h"
#include <iostream>
#include <vector>
#include "colvarmodule.h"
#include "colvarproxy.h"
#include "colvarproxy_lammps.h"
@ -57,12 +54,6 @@ struct LAMMPS_NS::commdata {
double x, y, z, m, q;
};
inline std::ostream &operator<<(std::ostream &out, const LAMMPS_NS::commdata &cd)
{
out << " (" << cd.tag << "/" << cd.type << ": " << cd.x << ", " << cd.y << ", " << cd.z << ") ";
return out;
}
/***************************************************************/
using namespace LAMMPS_NS;
@ -130,7 +121,7 @@ FixColvars::FixColvars(LAMMPS *lmp, int narg, char **arg) :
force_buf = nullptr;
idmap = nullptr;
script_args[0] = reinterpret_cast<unsigned char *>(strdup("fix_modify"));
script_args[0] = reinterpret_cast<unsigned char *>(utils::strdup("fix_modify"));
parse_fix_arguments(narg, arg, true);
@ -227,12 +218,11 @@ FixColvars::~FixColvars()
delete[] inp_name;
delete[] out_name;
delete[] tfix_name;
memory->sfree(comm_buf);
memory->sfree(script_args[0]);
delete[] script_args[0];
if (proxy) {
delete proxy;
}
memory->sfree(comm_buf);
if (proxy) delete proxy;
if (idmap) {
inthash_destroy(idmap);