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Merge pull request #1993 from akohlmey/strncmp-update

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Use utils::strmatch() in USER-DPD and KOKKOS for safer style matches
This commit is contained in:
Axel Kohlmeyer
2020-04-13 20:44:28 -04:00
committed by GitHub
parent 61871c3348 11b069ffe7
commit 2321789de0
10 changed files with 22 additions and 16 deletions
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3
src/KOKKOS/fix_rx_kokkos.cpp
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@ -27,6 +27,7 @@
#include "comm.h"
#include "domain.h"
#include "kokkos.h"
#include "utils.h"
#include <cfloat> // DBL_EPSILON
@ -128,7 +129,7 @@ void FixRxKokkos<DeviceType>::init()
bool eos_flag = false;
for (int i = 0; i < modify->nfix; i++)
if (strncmp(modify->fix[i]->style,"eos/table/rx",3) == 0) eos_flag = true;
if (utils::strmatch(modify->fix[i]->style,"^eos/table/rx")) eos_flag = true;
if(!eos_flag) error->all(FLERR,"fix rx requires fix eos/table/rx to be specified");
if (update_kinetics_data)

3
src/KOKKOS/pair_table_rx_kokkos.cpp
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@ -33,6 +33,7 @@
#include "kokkos_few.h"
#include "kokkos.h"
#include "modify.h"
#include "utils.h"
#include <cassert>
using namespace LAMMPS_NS;
@ -1022,7 +1023,7 @@ void PairTableRXKokkos<DeviceType>::coeff(int narg, char **arg)
bool rx_flag = false;
for (int i = 0; i < modify->nfix; i++)
if (strncmp(modify->fix[i]->style,"rx",2) == 0) rx_flag = true;
if (utils::strmatch(modify->fix[i]->style,"^rx")) rx_flag = true;
if (!rx_flag) error->all(FLERR,"PairTableRX requires a fix rx command.");
int ilo,ihi,jlo,jhi;

2
src/USER-DPD/fix_eos_table_rx.cpp
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@ -51,7 +51,7 @@ FixEOStableRX::FixEOStableRX(LAMMPS *lmp, int narg, char **arg) :
rx_flag = false;
nspecies = 1;
for (int i = 0; i < modify->nfix; i++)
if (strncmp(modify->fix[i]->style,"rx",2) == 0){
if (utils::strmatch(modify->fix[i]->style,"^rx")) {
rx_flag = true;
nspecies = atom->nspecies_dpd;
if(nspecies==0) error->all(FLERR,"There are no rx species specified.");

3
src/USER-DPD/fix_rx.cpp
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@ -31,6 +31,7 @@
#include "neigh_request.h"
#include "math_special.h"
#include "pair_dpd_fdt_energy.h"
#include "utils.h"
#include <vector> // std::vector<>
#include <algorithm> // std::max
@ -256,7 +257,7 @@ void FixRX::post_constructor()
bool match;
for (int i = 0; i < modify->nfix; i++)
if (strncmp(modify->fix[i]->style,"property/atom",13) == 0)
if (utils::strmatch(modify->fix[i]->style,"^property/atom") == 0)
error->all(FLERR,"fix rx cannot be combined with fix property/atom");
char **tmpspecies = new char*[maxspecies];

10
src/USER-DPD/fix_shardlow.cpp
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@ -54,6 +54,7 @@
#include "pair_dpd_fdt_energy.h"
#include "npair_half_bin_newton_ssa.h"
#include "citeme.h"
#include "utils.h"
using namespace LAMMPS_NS;
using namespace FixConst;
@ -155,12 +156,13 @@ void FixShardlow::setup(int /*vflag*/)
bool fixShardlow = false;
for (int i = 0; i < modify->nfix; i++)
if (strncmp(modify->fix[i]->style,"nvt",3) == 0 || strncmp(modify->fix[i]->style,"npt",3) == 0)
error->all(FLERR,"Cannot use constant temperature integration routines with DPD.");
if (strstr(modify->fix[i]->style,"nvt") || strstr(modify->fix[i]->style,"npt") ||
strstr(modify->fix[i]->style,"gle") || strstr(modify->fix[i]->style,"gld"))
error->all(FLERR,"Cannot use constant temperature integration routines with USER-DPD.");
for (int i = 0; i < modify->nfix; i++){
if (strncmp(modify->fix[i]->style,"shardlow",3) == 0) fixShardlow = true;
if (strncmp(modify->fix[i]->style,"nve",3) == 0 || (strncmp(modify->fix[i]->style,"nph",3) == 0)){
if (utils::strmatch(modify->fix[i]->style,"^shardlow")) fixShardlow = true;
if (utils::strmatch(modify->fix[i]->style,"^nve") || utils::strmatch(modify->fix[i]->style,"^nph")){
if(fixShardlow) break;
else error->all(FLERR,"The deterministic integrator must follow fix shardlow in the input file.");
}

2
src/USER-DPD/pair_dpd_fdt.cpp
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@ -316,7 +316,7 @@ void PairDPDfdt::init_style()
splitFDT_flag = false;
neighbor->request(this,instance_me);
for (int i = 0; i < modify->nfix; i++)
if (strncmp(modify->fix[i]->style,"shardlow", 8) == 0){
if (utils::strmatch(modify->fix[i]->style,"^shardlow")) {
splitFDT_flag = true;
}

6
src/USER-DPD/pair_dpd_fdt_energy.cpp
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@ -409,7 +409,7 @@ void PairDPDfdtEnergy::init_style()
splitFDT_flag = false;
neighbor->request(this,instance_me);
for (int i = 0; i < modify->nfix; i++)
if (strncmp(modify->fix[i]->style,"shardlow", 8) == 0){
if (utils::strmatch(modify->fix[i]->style,"^shardlow")) {
splitFDT_flag = true;
}
@ -420,8 +420,8 @@ void PairDPDfdtEnergy::init_style()
bool eos_flag = false;
for (int i = 0; i < modify->nfix; i++)
if (strncmp(modify->fix[i]->style,"eos",3) == 0) eos_flag = true;
if(!eos_flag) error->all(FLERR,"pair_style dpd/fdt/energy requires an EOS to be specified");
if (utils::strmatch(modify->fix[i]->style,"^eos")) eos_flag = true;
if(!eos_flag) error->all(FLERR,"pair_style dpd/fdt/energy requires an EOS fix to be specified");
}
/* ----------------------------------------------------------------------

2
src/USER-DPD/pair_exp6_rx.cpp
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@ -582,7 +582,7 @@ void PairExp6rx::coeff(int narg, char **arg)
bool rx_flag = false;
for (int i = 0; i < modify->nfix; i++)
if (strncmp(modify->fix[i]->style,"rx",2) == 0) rx_flag = true;
if (utils::strmatch(modify->fix[i]->style,"^rx")) rx_flag = true;
if (!rx_flag) error->all(FLERR,"PairExp6rx requires a fix rx command.");
if (!allocated) allocate();

2
src/USER-DPD/pair_multi_lucy_rx.cpp
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@ -368,7 +368,7 @@ void PairMultiLucyRX::coeff(int narg, char **arg)
bool rx_flag = false;
for (int i = 0; i < modify->nfix; i++)
if (strncmp(modify->fix[i]->style,"rx",2) == 0) rx_flag = true;
if (utils::strmatch(modify->fix[i]->style,"^rx")) rx_flag = true;
if (!rx_flag) error->all(FLERR,"PairMultiLucyRX requires a fix rx command.");
if (!allocated) allocate();

5
src/USER-DPD/pair_table_rx.cpp
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@ -26,6 +26,7 @@
#include "error.h"
#include "modify.h"
#include "fix.h"
#include "utils.h"
using namespace LAMMPS_NS;
@ -303,8 +304,8 @@ void PairTableRX::coeff(int narg, char **arg)
bool rx_flag = false;
for (int i = 0; i < modify->nfix; i++)
if (strncmp(modify->fix[i]->style,"rx",2) == 0) rx_flag = true;
if (!rx_flag) error->all(FLERR,"PairTableRX requires a fix rx command.");
if (utils::strmatch(modify->fix[i]->style,"^rx")) rx_flag = true;
if (!rx_flag) error->all(FLERR,"Pair style table/rx requires a fix rx command.");
int ilo,ihi,jlo,jhi;
force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);