diff --git a/src/cltools/kT.cpp b/src/cltools/kT.cpp index bf81da5696c45256c0f825f2a4b9bd904e90e724..71a098ce1fbd70eb8c6335179ed707c0f38beae3 100644 --- a/src/cltools/kT.cpp +++ b/src/cltools/kT.cpp @@ -82,7 +82,8 @@ int kt::main(FILE* in, FILE*out,Communicator& pc){ std::string unitname; parse("--units",unitname); Units units; units.setEnergy( unitname ); double temp; parse("--temp",temp); - std::cout<<"When the temperature is "<<temp<<" kelvin kT is equal to "<<(kBoltzmann*temp)/units.getEnergy()<<" "<<unitname<<std::endl; + double kk=(kBoltzmann*temp)/units.getEnergy(); + std::fprintf(out,"When the temperature is %f kelvin kT is equal to %f %s\n",temp,kk,unitname.c_str()); return 0; } diff --git a/src/imd/Makefile b/src/imd/Makefile index 2d510ae4cf4ccc022b476a6a73777fc75ce589fb..5968953fca5a6bb7920f6adacd8777f44fc17eb6 100644 --- a/src/imd/Makefile +++ b/src/imd/Makefile @@ -17,4 +17,9 @@ imdapi.tar.gz: clean: rm -fr imdapi.tar.gz *.c *.h *.$(SOEXT) *.o +obj: all + +links: + # do nothing + diff --git a/src/tools/Matrix.h b/src/tools/Matrix.h index 0388a9f6adb4ede2c281efc1c3c134e007e34fa9..a9d7f80ade86a2ae7fb085a1ce7346eb816c4dde 100644 --- a/src/tools/Matrix.h +++ b/src/tools/Matrix.h @@ -301,7 +301,7 @@ template <typename T> int pseudoInvert( const Matrix<T>& A, Matrix<double>& pseu mult( V, Si, tmp ); mult( tmp, UT, pseudoinverse ); // Deallocate all the memory - delete S; delete U; delete VT; delete work; delete da; + delete [] S; delete [] U; delete [] VT; delete [] work; delete [] da; return 0; }