New output for Ewald

Doc/Src_tex/ScalFmm-PeriodicModel/periodicmodel.tex

@@ -434,9 +434,9 @@ The first test consists in a small crystal $4\times 4\times 4$ of NaCl. It is co
 Crystal & Cube size & Cut off & reciprocal lattice vector &Energy \\
         &  $\AA$    & $\AA$    &             & $kcal\, mol^{-1}$ \\
 \hline
-Small & 16 & 8 & (9,9,9) & $ -2.346403 10^{4}  $ \\
+Small & 16 & 8 & (9,9,9) & $ -2.346403 \,10^{4}  $ \\
 \hline
-Big   & 40 & 12 & (15,15,15) & $-3.666255 10^{5}  $ \\
+Big   & 40 & 12 & (15,15,15) & $-3.666255 \,10^{5}  $ \\
 \hline
 \end{tabular}
 \end{center}
@@ -446,4 +446,35 @@ A new approach has been proposed to compute a periodic FMM.
 This approach can be used with any kernel and without the need of developing new operators.
 Moreover, it is possible to compute an important repetition size for a small cost.
 
+
+\newpage
+\section*{Appendix 1 }
+
+\begin{center}
+\large DL\_poly CONTROL file
+\end{center}
+
+\begin{verbatim}
+timestep 1.e-15
+steps 1
+
+temperature 0.0
+ensemble nve
+
+delr 0.5
+cutoff 8.0
+
+ewald precision 1.e-8
+
+no vdw
+
+traj 1,1,2
+print 1
+stats 1
+
+job time 3600
+close time   10
+
+finish
+\end{verbatim}
 \end{document}

UTests/utestParameters.cpp

-// ===================================================================================
-// Copyright ScalFmm 2011 INRIA, Olivier Coulaud, Bérenger Bramas, Matthias Messner
-// olivier.coulaud@inria.fr, berenger.bramas@inria.fr
-// This software is a computer program whose purpose is to compute the FMM.
-//
-// This software is governed by the CeCILL-C and LGPL licenses and
-// abiding by the rules of distribution of free software.  
-// 
-// This program is distributed in the hope that it will be useful,
-// but WITHOUT ANY WARRANTY; without even the implied warranty of
-// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-// GNU General Public and CeCILL-C Licenses for more details.
-// "http://www.cecill.info". 
-// "http://www.gnu.org/licenses".
-// ===================================================================================
-#include "FUTester.hpp"
-
-#include "../Src/Utils/FParameters.hpp"
-
-// compile by g++ utestMorton.cpp -o utestMorton.exe
-
-/**
-* This file is a unit test for the FTreeCoordinate class
-*/
-
-
-/** this class test the list container */
-class TestParameters : public FUTester<TestParameters> {
-        void Lower(){
-            uassert(FParameters::toLower('A') == 'a');
-            uassert(FParameters::toLower('Z') == 'z');
-            uassert(FParameters::toLower('a') == 'a');
-            uassert(FParameters::toLower('z') == 'z');
-            uassert(FParameters::toLower('m') == 'm');
-            uassert(FParameters::toLower(';') == ';');
-        }
-
-        void CharsEquals(){
-            uassert(FParameters::areCharsEquals('a','A',false));
-            uassert(FParameters::areCharsEquals('A','A',false));
-            uassert(FParameters::areCharsEquals('A','a',false));
-            uassert(FParameters::areCharsEquals('a','a',false));
-            uassert(!FParameters::areCharsEquals('a','l',false));
-            uassert(!FParameters::areCharsEquals('a','M',false));
-            uassert(!FParameters::areCharsEquals('1',';',false));
-
-
-            uassert(!FParameters::areCharsEquals('a','A',true));
-            uassert(FParameters::areCharsEquals('A','A',true));
-            uassert(!FParameters::areCharsEquals('A','a',true));
-            uassert(FParameters::areCharsEquals('a','a',true));
-            uassert(FParameters::areCharsEquals(';',';',true));
-        }
-
-        void StrsEquals(){
-            uassert(FParameters::areStrEquals("","",false));
-            uassert(FParameters::areStrEquals("aa","Aa",false));
-            uassert(!FParameters::areStrEquals("az","azz",false));
-            uassert(FParameters::areStrEquals("aza","azA",false));
-
-            uassert(FParameters::areStrEquals("a","a",true));
-            uassert(FParameters::areStrEquals("az","az",true));
-            uassert(!FParameters::areStrEquals("aza","azA",true));
-            uassert(!FParameters::areStrEquals("az","azA",true));
-        }
-
-        void FindParameter(){
-            const int argc = 4;
-            const char* argv[4] = {
-            "toto",
-            "titi",
-            "TaTa",
-            "tu.tU"
-            };
-
-            uassert(FParameters::findParameter(argc,argv,"tOto",false) == 0);
-            uassert(FParameters::findParameter(argc,argv,"titi",false) == 1);
-            uassert(FParameters::findParameter(argc,argv,"tAtA",false) == 2);
-            uassert(FParameters::findParameter(argc,argv,"tu.tu",false) == 3);
-
-            for(int idx = 0 ; idx < argc ; ++idx){
-                uassert(FParameters::findParameter(argc,argv,argv[idx],true) == idx);
-            }
-
-            uassert(FParameters::findParameter(argc,argv,"tu.tu",true) == -1);
-            uassert(FParameters::findParameter(argc,argv,"TOTO",true) == -1);
-        }
-
-        void StrToOther(){
-            uassert(FParameters::StrToOther<int>("0") == 0);
-            uassert(FParameters::StrToOther<int>("a",1) == 1);
-        }
-
-        // set test
-        void SetTests(){
-            AddTest(&TestParameters::Lower,"Test Lower");
-            AddTest(&TestParameters::CharsEquals,"Test Char equality");
-            AddTest(&TestParameters::StrsEquals,"Test Str equality");
-            AddTest(&TestParameters::FindParameter,"Test Str equality");
-            AddTest(&TestParameters::StrToOther,"Test Convert");
-        }
-};
-
-// You must do this
-TestClass(TestParameters)
-
-
-