ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

rename fmt() macro to logfmt() to avoid clashes with fmtlib

Browse Source
This commit is contained in:
Axel Kohlmeyer
2020-09-02 17:54:57 -04:00
parent 1421817276
commit d5027c125c
5 changed files with 204 additions and 204 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
lib/awpmd/ivutils/include/logexc.h
View File

@ -273,7 +273,7 @@ public:
};
/// format a string
const char *fmt(const char *format,...);
const char *logfmt(const char *format,...);
/// macros with common usage
#define LOGFATAL(code,text,lineinfo) ((lineinfo) ? ::message(vblFATAL,(code)," %s at %s:%d",(text),__FILE__,__LINE__) : \

22
lib/awpmd/systems/interact/TCP/wpmd.cpp
View File

@ -170,7 +170,7 @@ int AWPMD::set_pbc(const Vector_3P pcell, int pbc_){
int AWPMD::set_electrons(int s, int n, Vector_3P x, Vector_3P v, double* w, double* pw, double mass, double *q)
{
if(s < 0 || s > 1)
return LOGERR(-1,fmt("AWPMD.set_electrons: invaid s setting (%d)!",s),LINFO);
return LOGERR(-1,logfmt("AWPMD.set_electrons: invaid s setting (%d)!",s),LINFO);
norm_matrix_state[s] = NORM_UNDEFINED;
nwp[s]=ne[s]=n;
@ -363,20 +363,20 @@ int AWPMD::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
//3. inverting the overlap matrix
int info=0;
if(nes){
/*FILE *f1=fopen(fmt("matrO_%d.d",s),"wt");
/*FILE *f1=fopen(logfmt("matrO_%d.d",s),"wt");
fileout(f1,Y[s],"%15g");
fclose(f1);8*/
ZPPTRF("L",&nes,Y[s].arr,&info);
// analyze return code here
if(info<0)
return LOGERR(info,fmt("AWPMD.interacton: call to ZPTRF failed (exitcode %d)!",info),LINFO);
return LOGERR(info,logfmt("AWPMD.interacton: call to ZPTRF failed (exitcode %d)!",info),LINFO);
ZPPTRI("L",&nes,Y[s].arr,&info);
if(info<0)
return LOGERR(info,fmt("AWPMD.interacton: call to ZPTRI failed (exitcode %d)!",info),LINFO);
return LOGERR(info,logfmt("AWPMD.interacton: call to ZPTRI failed (exitcode %d)!",info),LINFO);
/*f1=fopen(fmt("matrY_%d.d",s),"wt");
/*f1=fopen(logfmt("matrY_%d.d",s),"wt");
fileout(f1,Y[s],"%15g");
fclose(f1);*/
}
@ -758,7 +758,7 @@ void AWPMD::norm_factorize(int s) {
int nes8 = ne[s]*8, info;
DGETRF(&nes8, &nes8, Norm[s].arr, &nes8, &ipiv[0], &info);
if(info < 0)
LOGERR(info,fmt("AWPMD.norm_factorize: call to DGETRF failed (exitcode %d)!",info),LINFO);
LOGERR(info,logfmt("AWPMD.norm_factorize: call to DGETRF failed (exitcode %d)!",info),LINFO);
norm_matrix_state[s] = NORM_FACTORIZED;
}
@ -773,7 +773,7 @@ void AWPMD::norm_invert(int s) {
DGETRI(&nes8, Norm[s].arr, &nes8, &ipiv[0], (double*)IDD.arr, &IDD_size, &info); // use IDD for work storage
if(info < 0)
LOGERR(info,fmt("AWPMD.norm_invert: call to DGETRI failed (exitcode %d)!",info),LINFO);
LOGERR(info,logfmt("AWPMD.norm_invert: call to DGETRI failed (exitcode %d)!",info),LINFO);
norm_matrix_state[s] = NORM_INVERTED;
}
@ -829,7 +829,7 @@ int AWPMD::step(double dt){
//e gets current electronic coordinates
int AWPMD::get_electrons(int spin, Vector_3P x, Vector_3P v, double* w, double* pw, double mass){
if(spin<0 || spin >1)
return -1; // invalid spin: return LOGERR(-1,fmt("AWPMD.get_electrons: invaid spin setting (%d)!",spin),LINFO);
return -1; // invalid spin: return LOGERR(-1,logfmt("AWPMD.get_electrons: invaid spin setting (%d)!",spin),LINFO);
if(mass<0)
mass=me;
for(int i=0;i<ni;i++){
@ -887,4 +887,4 @@ int AWPMD::interaction_ii(int flag,Vector_3P fi){
}
}
return 1;
}
}

376
lib/awpmd/systems/interact/TCP/wpmd_split.cpp
View File

File diff suppressed because it is too large Load Diff

4
lib/awpmd/systems/interact/TCP/wpmd_split.h
View File

@ -119,11 +119,11 @@ public:
/// Electronic charges q are -1 by default (when q=NULL), otherwise the charges are assigned for each split
int set_electrons(int s, int nel, Vector_3P x, Vector_3P v, double* w, double* pw, Vector_2 *c, int *splits, double mass=-1, double *q=NULL);
///\en Starts adding new electron: continue with \ref add_split functions.
int add_electron(int s){
if(s < 0 || s > 1)
return LOGERR(-1,fmt("AWPMD_split.add_electron: invaid spin setting (%d)!",s),LINFO);
return LOGERR(-1,logfmt("AWPMD_split.add_electron: invaid spin setting (%d)!",s),LINFO);
s_add=s;
spl_add=0;
return ne[s_add];

4
src/USER-AWPMD/pair_awpmd_cut.cpp
View File

@ -237,7 +237,7 @@ void PairAWPMDCut::compute(int eflag, int vflag)
etmap[etag[i]].push_back(i);
}
else
error->all(FLERR,fmt("Invalid spin value (%d) for particle %d !",spin[i],i));
error->all(FLERR,logfmt("Invalid spin value (%d) for particle %d !",spin[i],i));
}
// ion force vector
Vector_3 *fi=NULL;
@ -254,7 +254,7 @@ void PairAWPMDCut::compute(int eflag, int vflag)
for(size_t k=0;k<el.size();k++){
int i=el[k];
if(spin[el[0]]!=spin[i])
error->all(FLERR,fmt("WP splits for one electron should have the same spin (at particles %d, %d)!",el[0],i));
error->all(FLERR,logfmt("WP splits for one electron should have the same spin (at particles %d, %d)!",el[0],i));
double m= atom->mass ? atom->mass[type[i]] : force->e_mass;
Vector_3 xx=Vector_3(x[i][0],x[i][1],x[i][2]);
Vector_3 rv=m*Vector_3(v[i][0],v[i][1],v[i][2]);