fix up some leftover include issues that got overlooked in previous changes (ca4b26dd) · Commits · 郑智淋 / lammps

src/USER-PTM/ptm_structure_matcher.cpp

+2 −6

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		@@ -7,20 +7,16 @@ The above copyright notice and this permission notice shall be included in all c
		THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
		*/

		#include <cstdio>
		#include <cstdlib>
		#include "ptm_structure_matcher.h"
		#include <cstring>
		#include <cmath>
		#include <cfloat>
		#include <cassert>
		#include <algorithm>
		#include <utility>
		#include "ptm_convex_hull_incremental.h"
		#include "ptm_canonical_coloured.h"
		#include "ptm_graph_data.h"
		#include "ptm_graph_tools.h"
		#include "ptm_normalize_vertices.h"
		#include "ptm_polar.h"
		#include "ptm_structure_matcher.h"
		#include "ptm_constants.h"

+1 −1

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		@@ -12,7 +12,7 @@ THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLI

		#include "ptm_initialize_data.h"
		#include "ptm_constants.h"

		#include "ptm_convex_hull_incremental.h"

		namespace ptm {

+1 −10

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		@@ -16,31 +16,22 @@
		Implementation of the Multi-Scale Shock Method with quantum nuclear effects
		------------------------------------------------------------------------- */

		#include "fix_qbmsst.h"
		#include <mpi.h>
		#include <cmath>
		#include <cstring>
		#include <cstdlib>
		#include "fix_qbmsst.h"
		#include "math_extra.h"
		#include "atom.h"
		#include "atom_vec_ellipsoid.h"
		#include "force.h"
		#include "update.h"
		#include "modify.h"
		#include "compute.h"
		#include "domain.h"
		#include "region.h"
		#include "respa.h"
		#include "comm.h"
		#include "input.h"
		#include "output.h"
		#include "variable.h"
		#include "random_mars.h"
		#include "memory.h"
		#include "error.h"
		#include "group.h"
		#include "kspace.h"
		#include "thermo.h"
		#include "utils.h"

		using namespace LAMMPS_NS;

+1 −8

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		@@ -16,28 +16,21 @@
		Implementation of the colored thermostat for quantum nuclear effects
		------------------------------------------------------------------------- */

		#include "fix_qtb.h"
		#include <mpi.h>
		#include <cmath>
		#include <cstring>
		#include <cstdlib>
		#include "fix_qtb.h"
		#include "math_extra.h"
		#include "atom.h"
		#include "atom_vec_ellipsoid.h"
		#include "force.h"
		#include "update.h"
		#include "modify.h"
		#include "compute.h"
		#include "domain.h"
		#include "region.h"
		#include "respa.h"
		#include "comm.h"
		#include "input.h"
		#include "variable.h"
		#include "random_mars.h"
		#include "memory.h"
		#include "error.h"
		#include "group.h"

		using namespace LAMMPS_NS;
		using namespace FixConst;

+1 −2

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		@@ -16,11 +16,10 @@
		Morteza Jalalvand (IASBS) jalalvand.m AT gmail.com
		------------------------------------------------------------------------- */

		#include "fix_meso_move.h"
		#include <cstring>
		#include <cmath>
		#include "fix_meso_move.h"
		#include "atom.h"
		#include "group.h"
		#include "update.h"
		#include "modify.h"
		#include "force.h"