diff --git a/src/adjmat/AdjacencyMatrixVessel.cpp b/src/adjmat/AdjacencyMatrixVessel.cpp index 38a0f485c4dbced5b2e361fe911aa342ece7c5fa..884658a6f7ab2086ba503092097078b4ef72fc50 100644 --- a/src/adjmat/AdjacencyMatrixVessel.cpp +++ b/src/adjmat/AdjacencyMatrixVessel.cpp @@ -19,9 +19,9 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include "vesselbase/ActionWithVessel.h" #include "AdjacencyMatrixVessel.h" #include "AdjacencyMatrixBase.h" +#include "vesselbase/ActionWithVessel.h" namespace PLMD { namespace adjmat { diff --git a/src/bias/ReweightBase.cpp b/src/bias/ReweightBase.cpp index c517bd581331a98c4d34c153dab3545b2eee5caf..67130547654dfa05817764f88bb80818b7e0c4e0 100644 --- a/src/bias/ReweightBase.cpp +++ b/src/bias/ReweightBase.cpp @@ -19,9 +19,9 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ +#include "ReweightBase.h" #include "core/PlumedMain.h" #include "core/Atoms.h" -#include "ReweightBase.h" namespace PLMD { namespace bias { diff --git a/src/bias/ReweightBias.cpp b/src/bias/ReweightBias.cpp index 6a98537f82d60112c95f849442714f6f1d2e11e6..d5459df962ccd55f8b302a1990ce0fbd606f2661 100644 --- a/src/bias/ReweightBias.cpp +++ b/src/bias/ReweightBias.cpp @@ -19,8 +19,8 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include "core/ActionRegister.h" #include "ReweightBase.h" +#include "core/ActionRegister.h" //+PLUMEDOC REWEIGHTING REWEIGHT_BIAS /* diff --git a/src/colvar/PathMSDBase.cpp b/src/colvar/PathMSDBase.cpp index 6a7c6edfd3ac26ac1bb8c1826ed24e8ca9938598..9b9ee99046b9ea8353625512a194d4b5af699676 100644 --- a/src/colvar/PathMSDBase.cpp +++ b/src/colvar/PathMSDBase.cpp @@ -19,15 +19,15 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include <cmath> -#include "Colvar.h" #include "PathMSDBase.h" +#include "Colvar.h" #include "ActionRegister.h" #include "core/PlumedMain.h" #include "core/Atoms.h" #include "tools/PDB.h" #include "tools/RMSD.h" #include "tools/Tools.h" +#include <cmath> using namespace std; diff --git a/src/core/CLToolMain.cpp b/src/core/CLToolMain.cpp index 60d8d17aa6a0a4b9d69a32c2f659ec642479ace0..09d20edc03de851c01cac43e3d4f5b1f480b03d0 100644 --- a/src/core/CLToolMain.cpp +++ b/src/core/CLToolMain.cpp @@ -19,11 +19,11 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ +#include "CLToolMain.h" #include "config/Config.h" #include "tools/Exception.h" #include "tools/Communicator.h" #include "CLTool.h" -#include "CLToolMain.h" #include "CLToolRegister.h" #include "tools/Tools.h" #include "tools/DLLoader.h" diff --git a/src/core/MDAtoms.cpp b/src/core/MDAtoms.cpp index 44b618780b4d6f4c669b7970b366c4259ae7c86a..fc22bec03d6dd313f2a82fe775d418b429e122ca 100644 --- a/src/core/MDAtoms.cpp +++ b/src/core/MDAtoms.cpp @@ -19,12 +19,12 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include <algorithm> -#include <string> #include "MDAtoms.h" #include "tools/Tools.h" #include "tools/OpenMP.h" #include "tools/Exception.h" +#include <algorithm> +#include <string> using namespace std; diff --git a/src/crystallization/Gradient.cpp b/src/crystallization/Gradient.cpp index 4bd4763a27ad234d39161e8d947db8b97535c41c..cab20247624e102b0b7d39afd418a8bf60a5dc35 100644 --- a/src/crystallization/Gradient.cpp +++ b/src/crystallization/Gradient.cpp @@ -19,9 +19,9 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ +#include "Gradient.h" #include "core/ActionRegister.h" #include "tools/HistogramBead.h" -#include "Gradient.h" namespace PLMD { namespace crystallization { diff --git a/src/crystallization/OrientationSphere.cpp b/src/crystallization/OrientationSphere.cpp index 393463214bd5bb5a18b895aa55ba00c9cdf3b697..cd568037af2cea0275494b1017a9310011de8db1 100644 --- a/src/crystallization/OrientationSphere.cpp +++ b/src/crystallization/OrientationSphere.cpp @@ -19,8 +19,8 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include "VectorMultiColvar.h" #include "OrientationSphere.h" +#include "VectorMultiColvar.h" using namespace std; diff --git a/src/crystallization/Steinhardt.cpp b/src/crystallization/Steinhardt.cpp index 19cff612ea92df77449b86c3ebc5419553865a74..038d54567161ea4c69fcf371932af6e98bf665de 100644 --- a/src/crystallization/Steinhardt.cpp +++ b/src/crystallization/Steinhardt.cpp @@ -19,8 +19,8 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include <complex> #include "Steinhardt.h" +#include <complex> namespace PLMD { namespace crystallization { diff --git a/src/crystallization/VectorMultiColvar.cpp b/src/crystallization/VectorMultiColvar.cpp index 231cdb4513255d1b4c83e1b6ec29bed4a79f90e5..89652e98e95adf0ae064532fd1acd7fb1fa071fe 100644 --- a/src/crystallization/VectorMultiColvar.cpp +++ b/src/crystallization/VectorMultiColvar.cpp @@ -19,9 +19,9 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ +#include "VectorMultiColvar.h" #include "multicolvar/MultiColvarFunction.h" #include "multicolvar/BridgedMultiColvarFunction.h" -#include "VectorMultiColvar.h" namespace PLMD { namespace crystallization { diff --git a/src/gridtools/ContourFindingBase.cpp b/src/gridtools/ContourFindingBase.cpp index 94ae562f06c3e630e2aed9de552d1b0a90c293ec..0ce55ccc1172cbe8758531980896c4ff5776709c 100644 --- a/src/gridtools/ContourFindingBase.cpp +++ b/src/gridtools/ContourFindingBase.cpp @@ -19,10 +19,10 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ +#include "ContourFindingBase.h" #include "vesselbase/StoreDataVessel.h" #include "core/PlumedMain.h" #include "core/Atoms.h" -#include "ContourFindingBase.h" namespace PLMD { namespace gridtools { diff --git a/src/gridtools/GridVessel.cpp b/src/gridtools/GridVessel.cpp index d62507d156be2d5d2266748c052365c4dc4df977..750b06c8e7767136e53a4c6b13432ee32c873111 100644 --- a/src/gridtools/GridVessel.cpp +++ b/src/gridtools/GridVessel.cpp @@ -19,9 +19,9 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ +#include "GridVessel.h" #include "vesselbase/ActionWithVessel.h" #include "tools/Tools.h" -#include "GridVessel.h" namespace PLMD { namespace gridtools { diff --git a/src/gridtools/HistogramOnGrid.cpp b/src/gridtools/HistogramOnGrid.cpp index 84bac39f833e2b1ce1da1c110d6c657aa19144a7..b227ef6937502ac810709a61980824d64ab7e0e5 100644 --- a/src/gridtools/HistogramOnGrid.cpp +++ b/src/gridtools/HistogramOnGrid.cpp @@ -19,8 +19,8 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include "tools/KernelFunctions.h" #include "HistogramOnGrid.h" +#include "tools/KernelFunctions.h" namespace PLMD { namespace gridtools { diff --git a/src/multicolvar/BridgedMultiColvarFunction.cpp b/src/multicolvar/BridgedMultiColvarFunction.cpp index 1d779533ba4c24fee2d682a0fb5d7a1c431c1df1..4ee9f8f63402037d577e69516c0bf2af919703a7 100644 --- a/src/multicolvar/BridgedMultiColvarFunction.cpp +++ b/src/multicolvar/BridgedMultiColvarFunction.cpp @@ -19,10 +19,10 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ +#include "BridgedMultiColvarFunction.h" #include "core/PlumedMain.h" #include "core/ActionSet.h" #include "CatomPack.h" -#include "BridgedMultiColvarFunction.h" namespace PLMD { namespace multicolvar { diff --git a/src/reference/Direction.cpp b/src/reference/Direction.cpp index 16c142f4c6259edebe97639fbc512dc49121ee81..9fa67bebe8dccc9b67368c2f56bbdf216c98a7f5 100644 --- a/src/reference/Direction.cpp +++ b/src/reference/Direction.cpp @@ -19,8 +19,8 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include "MetricRegister.h" #include "Direction.h" +#include "MetricRegister.h" namespace PLMD { diff --git a/src/reference/MultiDomainRMSD.cpp b/src/reference/MultiDomainRMSD.cpp index 576bff6cf936c9ea35ca7556bc4486be8e691e0a..703af4ae65741cfdd9b5030a1f450a184601ed7e 100644 --- a/src/reference/MultiDomainRMSD.cpp +++ b/src/reference/MultiDomainRMSD.cpp @@ -19,8 +19,8 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include "SingleDomainRMSD.h" #include "MultiDomainRMSD.h" +#include "SingleDomainRMSD.h" #include "MetricRegister.h" #include "tools/PDB.h" diff --git a/src/tools/BiasRepresentation.cpp b/src/tools/BiasRepresentation.cpp index 64b774bfa731f93c8410e5f152f0bcb1388df8f5..7d9870424089df561cfec258ff9108772c85e99d 100644 --- a/src/tools/BiasRepresentation.cpp +++ b/src/tools/BiasRepresentation.cpp @@ -19,9 +19,9 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ +#include "BiasRepresentation.h" #include "core/Value.h" #include "Communicator.h" -#include "BiasRepresentation.h" #include <iostream> namespace PLMD { diff --git a/src/tools/Communicator.cpp b/src/tools/Communicator.cpp index f23b30ba0eb8cb514e760ac28df580fb4471b96c..38c09ae12beec942100c197607812546688c7cc6 100644 --- a/src/tools/Communicator.cpp +++ b/src/tools/Communicator.cpp @@ -19,9 +19,9 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include <cstdlib> #include "Communicator.h" #include "Exception.h" +#include <cstdlib> using namespace std; diff --git a/src/tools/FileBase.cpp b/src/tools/FileBase.cpp index 6d5535f6b915bbd7a366f76a2069782f008c1d72..ff9263cd8f23fc3f015a50ddae4a21cf6b98bc13 100644 --- a/src/tools/FileBase.cpp +++ b/src/tools/FileBase.cpp @@ -19,6 +19,8 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ +#include "FileBase.h" +// this is required to compile test #include "File.h" #include "Exception.h" #include "core/Action.h" diff --git a/src/tools/Grid.cpp b/src/tools/Grid.cpp index 72e57be840c137e303b517a51dfc25341ea8b27e..b263ae92cc741599352fa121b47544481d67fda4 100644 --- a/src/tools/Grid.cpp +++ b/src/tools/Grid.cpp @@ -19,12 +19,6 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include <vector> -#include <cmath> -#include <iostream> -#include <sstream> -#include <cstdio> -#include <cfloat> #include "Grid.h" #include "Tools.h" @@ -35,6 +29,13 @@ #include "RootFindingBase.h" #include "Communicator.h" +#include <vector> +#include <cmath> +#include <iostream> +#include <sstream> +#include <cstdio> +#include <cfloat> + using namespace std; namespace PLMD{ diff --git a/src/tools/IFile.cpp b/src/tools/IFile.cpp index 4d1a2dcdb248eadc773efaaab242af6cb761e8ea..6518eeb2463309c1a8b4bd380cafb49526a4fa12 100644 --- a/src/tools/IFile.cpp +++ b/src/tools/IFile.cpp @@ -19,7 +19,7 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include "File.h" +#include "IFile.h" #include "Exception.h" #include "core/Action.h" #include "core/PlumedMain.h" diff --git a/src/tools/LatticeReduction.cpp b/src/tools/LatticeReduction.cpp index 487991d3c98351a04179d4c0a88fbb43849572ac..a04ee83f2d87f3d20d4439f24a993092625fd36d 100644 --- a/src/tools/LatticeReduction.cpp +++ b/src/tools/LatticeReduction.cpp @@ -19,8 +19,8 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include "Exception.h" #include "LatticeReduction.h" +#include "Exception.h" #include <stdio.h> namespace PLMD{ diff --git a/src/tools/NeighborList.cpp b/src/tools/NeighborList.cpp index ab23e06bf422bc288704a54f9bd8123ac5432a55..a07d8604d93db1f32507b52e13ca4790cac669a7 100644 --- a/src/tools/NeighborList.cpp +++ b/src/tools/NeighborList.cpp @@ -19,13 +19,13 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include <vector> -#include <algorithm> +#include "NeighborList.h" #include "Vector.h" #include "Pbc.h" #include "AtomNumber.h" #include "Tools.h" -#include "NeighborList.h" +#include <vector> +#include <algorithm> namespace PLMD{ using namespace std; diff --git a/src/tools/OFile.cpp b/src/tools/OFile.cpp index e30bdd9e4defd6f92e8bbab07555d5f3e4916ffe..dcadbd6ca470ad3a00d3263f6efd36bf18214099 100644 --- a/src/tools/OFile.cpp +++ b/src/tools/OFile.cpp @@ -19,7 +19,7 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include "File.h" +#include "OFile.h" #include "Exception.h" #include "core/Action.h" #include "core/PlumedMain.h" diff --git a/src/tools/Tools.cpp b/src/tools/Tools.cpp index c1ffe96f96886c38c78d0e2094ef261265afd0a4..85e325cc512f5aadf419eda0e26283d2fa741f9e 100644 --- a/src/tools/Tools.cpp +++ b/src/tools/Tools.cpp @@ -19,13 +19,13 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include <iostream> #include "Tools.h" #include "AtomNumber.h" #include "Exception.h" #include "IFile.h" #include <cstring> #include <dirent.h> +#include <iostream> using namespace std; namespace PLMD{ diff --git a/src/vesselbase/ActionWithVessel.cpp b/src/vesselbase/ActionWithVessel.cpp index 46f9957dea952a6455e04deb2f1dd2eef3c9ef5c..02eb060f061b2558715ac64b43fa2d57652ab397 100644 --- a/src/vesselbase/ActionWithVessel.cpp +++ b/src/vesselbase/ActionWithVessel.cpp @@ -19,8 +19,8 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include "tools/Communicator.h" #include "ActionWithVessel.h" +#include "tools/Communicator.h" #include "Vessel.h" #include "ShortcutVessel.h" #include "StoreDataVessel.h" diff --git a/src/vesselbase/Between.cpp b/src/vesselbase/Between.cpp index 74a62da44d0cd264c3911fda3a4dd7f56c3c1846..3a00b2fa70d445a8a315ebfe4d7b5701cc931a05 100644 --- a/src/vesselbase/Between.cpp +++ b/src/vesselbase/Between.cpp @@ -20,8 +20,8 @@ along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include "VesselRegister.h" #include "Between.h" +#include "VesselRegister.h" namespace PLMD { namespace vesselbase { diff --git a/src/vesselbase/LessThan.cpp b/src/vesselbase/LessThan.cpp index 415d5637d4a07b436bdad134faf95dfdefb0c0b2..1e3c19bfadfdb8af160684ffcdab770db9339b09 100644 --- a/src/vesselbase/LessThan.cpp +++ b/src/vesselbase/LessThan.cpp @@ -19,8 +19,8 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include "VesselRegister.h" #include "LessThan.h" +#include "VesselRegister.h" namespace PLMD { namespace vesselbase{ diff --git a/src/vesselbase/Vessel.cpp b/src/vesselbase/Vessel.cpp index a5853344ede0ae76b0809105bb4b51a9e9478408..deec8b036dfb3cf4d7d593cc2b1bdd4e32a76b7f 100644 --- a/src/vesselbase/Vessel.cpp +++ b/src/vesselbase/Vessel.cpp @@ -19,8 +19,8 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include "ActionWithVessel.h" #include "Vessel.h" +#include "ActionWithVessel.h" #include "tools/Exception.h" #include "tools/Communicator.h" #include "tools/Log.h" diff --git a/src/vesselbase/VesselRegister.cpp b/src/vesselbase/VesselRegister.cpp index 6dee40e6c3074ca23f2d7c486b8367dfaf12a66c..d2e20b31bdb79c24cecb405c551ff2e3c4aff360 100644 --- a/src/vesselbase/VesselRegister.cpp +++ b/src/vesselbase/VesselRegister.cpp @@ -19,8 +19,8 @@ You should have received a copy of the GNU Lesser General Public License along with plumed. If not, see <http://www.gnu.org/licenses/>. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */ -#include "Vessel.h" #include "VesselRegister.h" +#include "Vessel.h" #include <iostream> namespace PLMD{