Merge branch 'master' into gridcomm-tiled (503d3826) · Commits · 郑智淋 / lammps

src/GRANULAR/pair_granular.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -1460,7 +1460,7 @@ double PairGranular::single(int i, int j, int itype, int jtype,
		damp_normal = a*meff;
		} else if (damping_model[itype][jtype] == TSUJI) {
		damp_normal = sqrt(meff*knfac);
		}
		} else damp_normal = 0.0;

		damp_normal_prefactor = normal_coeffs[itype][jtype][1]*damp_normal;
		Fdamp = -damp_normal_prefactor*vnnr;

src/KIM/kim_interactions.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -256,7 +256,7 @@ void KimInteractions::KIM_SET_TYPE_PARAMETERS(const std::string &input_line) con
		std::string key = words[1];
		std::string filename = words[2];
		std::vector<std::string> species(words.begin()+3,words.end());
		if (species.size() != atom->ntypes)
		if ((int)species.size() != atom->ntypes)
		error->one(FLERR,"Incorrect args for KIM_SET_TYPE_PARAMETERS command");

		FILE *fp;

src/KIM/kim_units.cpp

+0 −2

Original line number	Diff line number	Diff line
		@@ -1016,10 +1016,8 @@ double get_torque_conversion_factor(units from_unit_enum, units to_unit_enum)
		double get_temperature_conversion_factor(units from_unit_enum, units to_unit_enum)
		{
		map<units, map<units, double> > conv;
		double to_si;

		conv[kelvin][kelvin] = 1.0;

		return conv[from_unit_enum][to_unit_enum];
		}

src/MISC/dump_xtc.cpp

+9 −9

Original line number	Diff line number	Diff line
		@@ -555,7 +555,7 @@ static int sizeofint(const int size)
		unsigned int num = 1;
		int num_of_bits = 0;

		while (size >= num && num_of_bits < 32) {
		while (size >= (int) num && num_of_bits < 32) {
		num_of_bits++;
		num <<= 1;
		}
		@@ -596,7 +596,7 @@ static int sizeofints( const int num_of_ints, unsigned int sizes[])
		}
		num = 1;
		num_of_bytes--;
		while (bytes[num_of_bytes] >= num) {
		while ((int)bytes[num_of_bytes] >= num) {
		num_of_bits++;
		num *= 2;
		}
		@@ -650,13 +650,13 @@ static void sendints(int buf[], const int num_of_ints, const int num_of_bits,
		}
		num_of_bytes = bytecnt;
		}
		if (num_of_bits >= num_of_bytes * 8) {
		for (i = 0; i < num_of_bytes; i++) {
		if (num_of_bits >= (int)num_of_bytes * 8) {
		for (i = 0; i < (int)num_of_bytes; i++) {
		sendbits(buf, 8, bytes[i]);
		}
		sendbits(buf, num_of_bits - num_of_bytes * 8, 0);
		} else {
		for (i = 0; i < num_of_bytes-1; i++) {
		for (i = 0; i < (int)num_of_bytes-1; i++) {
		sendbits(buf, 8, bytes[i]);
		}
		sendbits(buf, num_of_bits- (num_of_bytes -1) * 8, bytes[i]);
		@@ -691,7 +691,7 @@ static int receivebits(int buf[], int num_of_bits)
		num_of_bits -=8;
		}
		if (num_of_bits > 0) {
		if (lastbits < num_of_bits) {
		if ((int)lastbits < num_of_bits) {
		lastbits += 8;
		lastbyte = (lastbyte << 8) \| cbuf[cnt++];
		}
		@@ -931,11 +931,11 @@ int xdr3dfcoord(XDR xdrs, float fp, int size, float precision)
		lip = ip;
		luip = (unsigned int *) ip;
		smallidx = FIRSTIDX;
		while (smallidx < LASTIDX && magicints[smallidx] < mindiff) {
		while (smallidx < (int)LASTIDX && magicints[smallidx] < mindiff) {
		smallidx++;
		}
		xdr_int(xdrs, &smallidx);
		maxidx = MYMIN(LASTIDX, smallidx + 8) ;
		maxidx = MYMIN((int)LASTIDX, smallidx + 8) ;
		minidx = maxidx - 8; /* often this equal smallidx */
		smaller = magicints[MYMAX(FIRSTIDX, smallidx-1)] / 2;
		small = magicints[smallidx] / 2;
		@@ -1111,7 +1111,7 @@ int xdr3dfcoord(XDR xdrs, float fp, int size, float precision)
		}

		xdr_int(xdrs, &smallidx);
		maxidx = MYMIN(LASTIDX, smallidx + 8) ;
		maxidx = MYMIN((int)LASTIDX, smallidx + 8) ;
		minidx = maxidx - 8; /* often this equal smallidx */
		smaller = magicints[MYMAX(FIRSTIDX, smallidx-1)] / 2;
		small = magicints[smallidx] / 2;

src/USER-DPD/fix_rx.cpp

+3 −3

Original line number	Diff line number	Diff line
		@@ -318,7 +318,7 @@ void FixRX::post_constructor()
		error->all(FLERR,"Exceeded the maximum number of species permitted in fix rx.");
		tmpspecies[nUniqueSpecies] = new char[strlen(word)+1];
		strcpy(tmpspecies[nUniqueSpecies],word);
		tmpmaxstrlen = MAX(tmpmaxstrlen,strlen(word));
		tmpmaxstrlen = MAX(tmpmaxstrlen,(int)strlen(word));
		nUniqueSpecies++;
		}
		word = strtok(NULL, " \t\n\r\f");
		@@ -543,7 +543,7 @@ void FixRX::initSparse()
		if (SparseKinetics_enableIntegralReactions){
		sparseKinetics_inu[i][idx] = (int)sparseKinetics_nu[i][idx];
		if (isIntegral_i){
		if (sparseKinetics_inu[i][idx] >= nu_bin.size())
		if (sparseKinetics_inu[i][idx] >= (int)nu_bin.size())
		nu_bin.resize( sparseKinetics_inu[i][idx] );

		nu_bin[ sparseKinetics_inu[i][idx] ] ++;
		@@ -561,7 +561,7 @@ void FixRX::initSparse()
		if (SparseKinetics_enableIntegralReactions){
		sparseKinetics_inu[i][idx] = (int) sparseKinetics_nu[i][idx];
		if (isIntegral_i){
		if (sparseKinetics_inu[i][idx] >= nu_bin.size())
		if (sparseKinetics_inu[i][idx] >= (int)nu_bin.size())
		nu_bin.resize( sparseKinetics_inu[i][idx] );

		nu_bin[ sparseKinetics_inu[i][idx] ] ++;

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