reduce compiler warnings in USER-AWPMD (d684b705) · Commits · 郑智淋 / lammps

lib/awpmd/ivutils/include/logexc.h

+6 −9

Changes for lib/awpmd/ivutils/include/logexc.h: 6 added lines, 9 removed lines.
Original line number	Diff line number	Diff line
		@@ -43,12 +43,12 @@ enum vbLEVELS{
		template<class exc_t>
		struct log_exception_traits{
		/// 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
		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
		/// 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;
		}
		};
		@@ -80,7 +80,7 @@ struct log_exception_traits<int>{
		return "integer exception";*/
		}
		/// 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;
		}
		};
		@@ -90,14 +90,11 @@ template<>
		struct log_exception_traits<enum vbLEVELS>{
		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 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;
		}
		};




		/// 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
		/// At first, the the level of error is determined via log_exception_traits<>::level(signal)
		@@ -205,7 +202,7 @@ public:
		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
		printf("%s:\n",descriptor.c_str());
		if(string(messtype)!=string(""))

lib/awpmd/ivutils/include/pairhash.h

+1 −1

Changes for lib/awpmd/ivutils/include/pairhash.h: 1 added line, 1 removed line.
Original line number	Diff line number	Diff line
		@@ -324,7 +324,7 @@ public:
		}

		//e initializes by unmanaged pointer
		sqmatrix(size_t n, T *ptr):size(n){
		sqmatrix(size_t n, T * /* ptr */):size(n){
		init(n);
		}

lib/awpmd/ivutils/include/wavepacket.h

+2 −2

Changes for lib/awpmd/ivutils/include/wavepacket.h: 2 added lines, 2 removed lines.
Original line number	Diff line number	Diff line
		@@ -24,7 +24,7 @@ class WavePacket;
		///\en Template for v=der operation in \ref Wavepacket::int2phys_der()
		template<class 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;
		}
		};
		@@ -32,7 +32,7 @@ struct eq_second : public binary_function <Type, Type, Type> {
		///\en Template for v=-der operation in \ref Wavepacket::int2phys_der()
		template<class 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;
		}
		};

lib/awpmd/systems/interact/TCP/wpmd.h

+1 −1

Changes for lib/awpmd/systems/interact/TCP/wpmd.h: 1 added line, 1 removed line.
Original line number	Diff line number	Diff line
		@@ -425,7 +425,7 @@ public:
		/// calculated only once based on particle tags)
		/// If force multiplier is zero, then the term may be omitted (energy will also be zero).
		/// 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);
		if(res==1){ // my term
		//printf(" *\n");

lib/awpmd/systems/interact/TCP/wpmd_split.cpp

+2 −5

Changes for lib/awpmd/systems/interact/TCP/wpmd_split.cpp: 2 added lines, 5 removed lines.
Original line number	Diff line number	Diff line
		@@ -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++){
		// 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_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;

		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++){

		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);

		for(int k2=j2;k2<nspl[s2][c2];k2++){
		int M2a=(j2==k2 ? 1: 2);
		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]);

		@@ -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
		}
		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)
		continue;

Admin message