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reduce compiler warnings in USER-AWPMD

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This commit is contained in:
Axel Kohlmeyer
2019-10-18 15:45:25 +02:00
parent 5b47b0b098
commit d684b70555
7 changed files with 20 additions and 26 deletions
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15
lib/awpmd/ivutils/include/logexc.h
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@ -43,12 +43,12 @@ enum vbLEVELS{
template<class exc_t> template<class exc_t>
struct log_exception_traits{ struct log_exception_traits{
/// exeption level according to the vbLEVELS /// exeption level according to the vbLEVELS
static int level(const exc_t &signal){ return vblFATAL; } static int level(const exc_t & /* signal */){ return vblFATAL; }
/// the string name of exception category /// the string name of exception category
static string name(const exc_t &signal){ return typeid(exc_t).name();} static string name(const exc_t & /* signal */){ return typeid(exc_t).name();}
/// adds some more explanations to the description /// adds some more explanations to the description
/// default behaviour: nothing done /// default behaviour: nothing done
static exc_t add_words(const exc_t &orig, const char *words){ static exc_t add_words(const exc_t &orig, const char * /* words */){
return orig; return orig;
} }
}; };
@ -80,7 +80,7 @@ struct log_exception_traits<int>{
return "integer exception";*/ return "integer exception";*/
} }
/// default behaviour: nothing done /// default behaviour: nothing done
static int add_words(const int &orig, const char *words){ static int add_words(const int &orig, const char * /* words */){
return orig; return orig;
} }
}; };
@ -90,14 +90,11 @@ template<>
struct log_exception_traits<enum vbLEVELS>{ struct log_exception_traits<enum vbLEVELS>{
static int level(const enum vbLEVELS &signal){ return log_exception_traits<int>::level(signal); } static int level(const enum vbLEVELS &signal){ return log_exception_traits<int>::level(signal); }
static string name(const enum vbLEVELS &signal){ return log_exception_traits<int>::name(signal); } static string name(const enum vbLEVELS &signal){ return log_exception_traits<int>::name(signal); }
static enum vbLEVELS add_words(const enum vbLEVELS &orig, const char *words){ static enum vbLEVELS add_words(const enum vbLEVELS &orig, const char * /* words */){
return orig; return orig;
} }
}; };
/// Logger class to control (computational) function behaviour when something requiring user attention has happened. /// Logger class to control (computational) function behaviour when something requiring user attention has happened.
/// message(signal,errcode, text) is used to either throw an exception or return errorcode /// message(signal,errcode, text) is used to either throw an exception or return errorcode
/// At first, the the level of error is determined via log_exception_traits<>::level(signal) /// At first, the the level of error is determined via log_exception_traits<>::level(signal)
@ -205,7 +202,7 @@ public:
return errcode; return errcode;
} }
virtual void log_text(int level, const char *messtype, const char *messtext){ virtual void log_text(int /* level */, const char *messtype, const char *messtext){
if(descriptor!="") // descriptor is used as header if(descriptor!="") // descriptor is used as header
printf("%s:\n",descriptor.c_str()); printf("%s:\n",descriptor.c_str());
if(string(messtype)!=string("")) if(string(messtype)!=string(""))

2
lib/awpmd/ivutils/include/pairhash.h
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@ -324,7 +324,7 @@ public:
} }
//e initializes by unmanaged pointer //e initializes by unmanaged pointer
sqmatrix(size_t n, T *ptr):size(n){ sqmatrix(size_t n, T * /* ptr */):size(n){
init(n); init(n);
} }

4
lib/awpmd/ivutils/include/wavepacket.h
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@ -24,7 +24,7 @@ class WavePacket;
///\en Template for v=der operation in \ref Wavepacket::int2phys_der() ///\en Template for v=der operation in \ref Wavepacket::int2phys_der()
template<class Type> template<class Type>
struct eq_second : public binary_function <Type, Type, Type> { struct eq_second : public binary_function <Type, Type, Type> {
Type operator()(const Type& _Left, const Type& _Right) const{ Type operator()(const Type& /* _Left */, const Type& _Right) const{
return _Right; return _Right;
} }
}; };
@ -32,7 +32,7 @@ struct eq_second : public binary_function <Type, Type, Type> {
///\en Template for v=-der operation in \ref Wavepacket::int2phys_der() ///\en Template for v=-der operation in \ref Wavepacket::int2phys_der()
template<class Type> template<class Type>
struct eq_minus_second : public binary_function <Type, Type, Type> { struct eq_minus_second : public binary_function <Type, Type, Type> {
Type operator()(const Type& _Left, const Type& _Right) const{ Type operator()(const Type& /* _Left */, const Type& _Right) const{
return -_Right; return -_Right;
} }
}; };

2
lib/awpmd/systems/interact/TCP/wpmd.h
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@ -425,7 +425,7 @@ public:
/// calculated only once based on particle tags) /// calculated only once based on particle tags)
/// If force multiplier is zero, then the term may be omitted (energy will also be zero). /// If force multiplier is zero, then the term may be omitted (energy will also be zero).
/// NOW ASSIGNS BASED ON THE FIRST PAIR ONLY /// NOW ASSIGNS BASED ON THE FIRST PAIR ONLY
pair<double, double> check_part1(int s1,int icj1,int ick2, int s2=-1,int icj3=-1,int ick4=-1){ pair<double, double> check_part1(int s1,int icj1,int ick2){
int res=check_ee(s1,icj1,ick2); int res=check_ee(s1,icj1,ick2);
if(res==1){ // my term if(res==1){ // my term
//printf(" *\n"); //printf(" *\n");

11
lib/awpmd/systems/interact/TCP/wpmd_split.cpp
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@ -331,7 +331,7 @@ void AWPMD_split::get_el_forces(int flag, Vector_3P fe_x,
fe_pw[ic1+k1]+=E_der[s1][indw1+8*k1+1]/(2*w*h_plank); fe_pw[ic1+k1]+=E_der[s1][indw1+8*k1+1]/(2*w*h_plank);
for(int i=0;i<3;i++){ for(int i=0;i<3;i++){
fe_x[ic1+k1][i]+= -2*real(wk.a)*E_der[s1][indw1+8*k1+2+2*i]-2*imag(wk.a)*E_der[s1][indw1+8*k1+2+2*i+1]; fe_x[ic1+k1][i]+= -2*real(wk.a)*E_der[s1][indw1+8*k1+2+2*i]-2*imag(wk.a)*E_der[s1][indw1+8*k1+2+2*i+1];
fe_p[ic1+k1][i]+= (-E_der[s1][indw1+8*k1+2+2*i+1])*(m_electron/h_plank); //*(h_plank/m_electron); fe_p[ic1+k1][i]+= (-E_der[s1][indw1+8*k1+2+2*i+1])*(m_electron/h_plank); // *(h_plank/m_electron);
fe_pw[ic1+k1]+=(r[i]*E_der[s1][indw1+8*k1+2+2*i+1]/w)/h_plank; fe_pw[ic1+k1]+=(r[i]*E_der[s1][indw1+8*k1+2+2*i+1]/w)/h_plank;
fe_w[ic1+k1]+=2*r[i]*(t*E_der[s1][indw1+8*k1+2+2*i]+imag(wk.a)*E_der[s1][indw1+8*k1+2+2*i+1]/w); fe_w[ic1+k1]+=2*r[i]*(t*E_der[s1][indw1+8*k1+2+2*i]+imag(wk.a)*E_der[s1][indw1+8*k1+2+2*i+1]/w);
}*/ }*/
@ -368,7 +368,6 @@ int AWPMD_split::interaction_hartree(int flag, Vector_3P fi, Vector_3P fe_x,
for(int c1=0;c1<ne[s1];c1++){ for(int c1=0;c1<ne[s1];c1++){
// calculating single-electron quantities within block // calculating single-electron quantities within block
double Ee1=0., Ew1=0., Eei1=0.;
double pref=-h2_me/(2*wf_norm[s1][c1]); // ekin double pref=-h2_me/(2*wf_norm[s1][c1]); // ekin
double pref_ei=coul_pref/wf_norm[s1][c1]; double pref_ei=coul_pref/wf_norm[s1][c1];
@ -502,7 +501,6 @@ int AWPMD_split::interaction_hartree(int flag, Vector_3P fi, Vector_3P fe_x,
continue; continue;
double pref_ee=coul_pref/(wf_norm[s1][c1]*wf_norm[s2][c2]); double pref_ee=coul_pref/(wf_norm[s1][c1]*wf_norm[s2][c2]);
double dE=0.;
for(int j2=0;j2<nspl[s2][c2];j2++){ for(int j2=0;j2<nspl[s2][c2];j2++){
cdouble cj2(split_c[s2][ic2+j2][0],split_c[s2][ic2+j2][1]); cdouble cj2(split_c[s2][ic2+j2][0],split_c[s2][ic2+j2][1]);
@ -513,9 +511,8 @@ int AWPMD_split::interaction_hartree(int flag, Vector_3P fi, Vector_3P fe_x,
o2.set1(wj2); o2.set1(wj2);
for(int k2=j2;k2<nspl[s2][c2];k2++){ for(int k2=j2;k2<nspl[s2][c2];k2++){
int M2a=(j2==k2 ? 1: 2);
double M2e, M2f; double M2e, M2f;
_mytie(M2e,M2f)=check_part1(s1,ic1+j1,ic1+k1,s2,ic2+j2,ic2+k2); _mytie(M2e,M2f)=check_part1(s1,ic1+j1,ic1+k1);
cdouble ck2(split_c[s2][ic2+k2][0],split_c[s2][ic2+k2][1]); cdouble ck2(split_c[s2][ic2+k2][0],split_c[s2][ic2+k2][1]);
@ -1180,7 +1177,7 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
M0= (c1==c2 && c3==c4 ? 1: 2); // will have exchange term for different pairs instead of M12*M34 factor M0= (c1==c2 && c3==c4 ? 1: 2); // will have exchange term for different pairs instead of M12*M34 factor
} }
double Me, Mf; double Me, Mf;
_mytie(Me,Mf)=check_part1(s1,ic1+j1,ic2+k2,s2,ic3+j3,ic4+k4)*M0; _mytie(Me,Mf)=check_part1(s1,ic1+j1,ic2+k2)*M0;
if(!Mf) if(!Mf)
continue; continue;
@ -1322,4 +1319,4 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
interaction_ii(flag,fi); interaction_ii(flag,fi);
return 1; return 1;
} }

6
src/USER-AWPMD/fix_nve_awpmd.cpp
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@ -72,7 +72,7 @@ void FixNVEAwpmd::init()
allow for only per-type mass allow for only per-type mass
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void FixNVEAwpmd::initial_integrate(int vflag) void FixNVEAwpmd::initial_integrate(int /* vflag */)
{ {
@ -117,7 +117,7 @@ void FixNVEAwpmd::final_integrate(){}
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
void FixNVEAwpmd::initial_integrate_respa(int vflag, int ilevel, int iloop) void FixNVEAwpmd::initial_integrate_respa(int vflag, int ilevel, int /* iloop */)
{ {
dtv = step_respa[ilevel]; dtv = step_respa[ilevel];
dtf = 0.5 * step_respa[ilevel] * force->ftm2v; dtf = 0.5 * step_respa[ilevel] * force->ftm2v;
@ -131,7 +131,7 @@ void FixNVEAwpmd::initial_integrate_respa(int vflag, int ilevel, int iloop)
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
void FixNVEAwpmd::final_integrate_respa(int ilevel, int iloop) void FixNVEAwpmd::final_integrate_respa(int ilevel, int /* iloop */)
{ {
dtf = 0.5 * step_respa[ilevel] * force->ftm2v; dtf = 0.5 * step_respa[ilevel] * force->ftm2v;
final_integrate(); final_integrate();

6
src/USER-AWPMD/pair_awpmd_cut.cpp
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@ -642,7 +642,7 @@ void PairAWPMDCut::read_restart_settings(FILE *fp)
these arrays are stored locally by pair style these arrays are stored locally by pair style
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void PairAWPMDCut::min_xf_pointers(int ignore, double **xextra, double **fextra) void PairAWPMDCut::min_xf_pointers(int /* ignore */, double **xextra, double **fextra)
{ {
// grow arrays if necessary // grow arrays if necessary
// need to be atom->nmax in length // need to be atom->nmax in length
@ -665,7 +665,7 @@ void PairAWPMDCut::min_xf_pointers(int ignore, double **xextra, double **fextra)
calculate and store in min_eradius and min_erforce calculate and store in min_eradius and min_erforce
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void PairAWPMDCut::min_xf_get(int ignore) void PairAWPMDCut::min_xf_get(int /* ignore */)
{ {
double *eradius = atom->eradius; double *eradius = atom->eradius;
double *erforce = atom->erforce; double *erforce = atom->erforce;
@ -704,7 +704,7 @@ void PairAWPMDCut::min_xf_get(int ignore)
propagate the minimizer values to the atom values propagate the minimizer values to the atom values
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void PairAWPMDCut::min_x_set(int ignore) void PairAWPMDCut::min_x_set(int /* ignore */)
{ {
double *eradius = atom->eradius; double *eradius = atom->eradius;
double **v=atom->v; double **v=atom->v;