jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

Merge pull request #1542 from akohlmey/improve-include-consistency 

Improve Consistency of Include Statements (mostly complete)
This commit is contained in:
Axel Kohlmeyer 2019-07-29 20:12:41 -04:00 committed by GitHub
parent 7043b9f620 838ea2eca1
commit 2e6850835f
No known key found for this signature in database
GPG Key ID: 4AEE18F83AFDEB23
1445 changed files with 2675 additions and 5046 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

133
doc/include-file-conventions.md Normal file
View File

@ -0,0 +1,133 @@
# Outline of include file conventions in LAMMPS
This purpose of this document is to provide a point of reference
for LAMMPS developers and contributors as to what include files
and definitions to put where into LAMMPS source.
Last change 2019-07-05
## Table of Contents
* [Motivation](#motivation)
* [Rules](#rules)
* [Tools](#tools)
* [Legacy Code](#legacy-code)
## Motivation
The conventions outlined in this document are supposed to help make
maintenance of the LAMMPS software easier. By trying to achieve
consistency across files contributed by different developers, it will
become easier for the code maintainers to modify and adjust files and,
overall, the chance for errors or portability issues will be reduced.
The rules employed are supposed to minimize naming conflicts and
simplify dependencies between files and thus speed up compilation. They
may, as well, make otherwise hidden dependencies visible.
## Rules
Below are the various rules that are applied. Not all are enforced
strictly and automatically. If there are no significant side effects,
exceptions may be possible for cases where a full compliance to the
rules may require a large effort compared to the benefit.
### Core Files Versus Package Files
All rules listed below are most strictly observed for core LAMMPS files,
which are the files that are not part of a package, and the files of the
packages MOLECULE, MANYBODY, KSPACE, and RIGID. On the other end of
the spectrum are USER packages and legacy packages that predate these
rules and thus may not be fully compliant. Also, new contributions
will be checked more closely, while existing code will be incrementally
adapted to the rules as time and required effort permits.
### System Versus Local Header Files
All system- or library-provided include files are included with angular
brackets (examples: `#include <cstring>` or `#include <mpi.h>`) while
include files provided with LAMMPS are included with double quotes
(examples: `#include "pointers.h"` or `#include "compute_temp.h"`).
For headers declaring functions of the C-library, the corresponding
C++ versions should be included (examples: `#include <cstdlib>` or
`#include <cctypes>`). However, these includes are limited to those defined
in the C++98 standard. Some files thus must use the older style until
the minimum C++ standard requirement of LAMMPS is lifted to C++11 or
even beyond (examples: `#include <stdint.h>` versus `#include <cstdint>`
or `#include <inttypes.h>` versus `#include <cinttypes>`).
### C++ Standard Compliance
LAMMPS core files currently correspond to the C++98 standard. Files
requiring C++11 or later are only permitted in (optional) packages
and particularly packages that are not part of the list of commonly
used packages such as MOLECULE, KSPACE, MANYBODY, or RIGID.
Also, LAMMPS uses the C-style stdio library for I/O instead of iostreams.
Since using both at the same time can cause problems, iostreams should
be avoided where possible.
### Lean Header Files
Header files will typically contain the definition of a (single) class.
These header files should have as few include statements as possible.
This is particularly important for classes that implement a "style" and
thus use a macro of the kind `SomeStyle(some/name,SomeName)`. These will
all be included in the auto-generated `"some_style.h"` files which
results in a high potential for direct or indirect symbol name clashes.
In the ideal case, the header would only include one file defining the
parent class. That would typically be either `#include "pointers.h"` for
the `Pointers` class, or a header of a class derived from it like
`#include "pair.h"` for the `Pair` class and so on. References to other
classes inside the class should be make through pointers, for which forward
declarations (inside the `LAMMPS_NS` or the new class' namespace) can
be employed. The full definition will then be included into the corresponding
implementation file. In the given example from above, the header file
would be called `some_name.h` and the implementation `some_name.cpp` (all
lower case with underscores, while the class itself would be in camel case
and no underscores `SomeName`, and the style name with lower case names separated by
a forward slash).
### Implementation Files
In the implementation files (typically, those would have the same base name
as the corresponding header with a .cpp extension instead of .h) include
statements should follow the "include what you use" principle.
### Order of Include Statements
Include files should be included in this order:
* the header matching the implementation (`some_class.h` for file `some_class.cpp`)
* mpi.h
* system and library headers (anything that is using angular brackets; C-library headers first, then C++)
* LAMMPS local headers (preferably in alphabetical order)
### Special Cases and Exceptions
#### pointers.h
The `pointer.h` header file also includes `cstdio` and `lmptype.h`
(and through it `stdint.h`, `intttypes.h`, and `climits`).
This means any header including `pointers.h` can assume that `FILE`,
`NULL`, `INT_MAX` are defined.
## Tools
The [Include What You Use tool](https://include-what-you-use.org/)
can be used to provide supporting information about compliance with
the rules listed here. There are some limitations and the IWYU tool
may give incorrect advice. The tools is activated by setting the
CMake variable `CMAKE_CXX_INCLUDE_WHAT_YOU_USE` variable to the
path of the `include-what-you-use` command. When activated, the
tool will be run after each compilation and provide suggestions for
which include files should be added or removed.
## Legacy Code
A lot of code predates the application of the rules in this document
and the rules themselves are a moving target. So there are going to be
significant chunks of code that do not fully comply. This applies
for example to the USER-REAXC, or the USER-ATC package. The LAMMPS
developers are dedicated to make an effort to improve the compliance
and welcome volunteers wanting to help with the process.

2
lib/poems/system.h
View File

@ -15,7 +15,6 @@
* CONTACT: anderk5@rpi.edu *
*_________________________________________________________________________*/
#ifndef SYSTEM_H
#define SYSTEM_H
@ -31,7 +30,6 @@
#include "workspace.h"
#include "matrixfun.h"
#include "onsolver.h"
#include "system.h"
#include "inertialframe.h"
#include "rigidbody.h"
#include "revolutejoint.h"

3
src/ASPHERE/compute_erotate_asphere.cpp
View File

@ -11,8 +11,8 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <mpi.h>
#include "compute_erotate_asphere.h"
#include <mpi.h>
#include "math_extra.h"
#include "atom.h"
#include "atom_vec_ellipsoid.h"
@ -20,7 +20,6 @@
#include "atom_vec_tri.h"
#include "update.h"
#include "force.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;

3
src/ASPHERE/compute_temp_asphere.cpp
View File

@ -15,9 +15,9 @@
Contributing author: Mike Brown (SNL)
------------------------------------------------------------------------- */
#include "compute_temp_asphere.h"
#include <mpi.h>
#include <cstring>
#include "compute_temp_asphere.h"
#include "math_extra.h"
#include "atom.h"
#include "atom_vec_ellipsoid.h"
@ -26,7 +26,6 @@
#include "domain.h"
#include "modify.h"
#include "group.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;

7
src/ASPHERE/fix_nh_asphere.cpp
View File

@ -15,15 +15,10 @@
Contributing author: Mike Brown (SNL)
------------------------------------------------------------------------- */
#include <cstring>
#include <cstdlib>
#include <cmath>
#include "math_extra.h"
#include "fix_nh_asphere.h"
#include "math_extra.h"
#include "atom.h"
#include "atom_vec_ellipsoid.h"
#include "group.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;

2
src/ASPHERE/fix_nph_asphere.cpp
View File

@ -11,8 +11,8 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cstring>
#include "fix_nph_asphere.h"
#include <cstring>
#include "modify.h"
#include "error.h"

2
src/ASPHERE/fix_npt_asphere.cpp
View File

@ -11,8 +11,8 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cstring>
#include "fix_npt_asphere.h"
#include <cstring>
#include "modify.h"
#include "error.h"

6
src/ASPHERE/fix_nve_asphere.cpp
View File

@ -15,16 +15,10 @@
Contributing author: Mike Brown (SNL)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstring>
#include "fix_nve_asphere.h"
#include "math_extra.h"
#include "atom.h"
#include "atom_vec_ellipsoid.h"
#include "force.h"
#include "update.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;

6
src/ASPHERE/fix_nve_asphere_noforce.cpp
View File

@ -11,16 +11,10 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstring>
#include <cstdlib>
#include "fix_nve_asphere_noforce.h"
#include "math_extra.h"
#include "atom.h"
#include "atom_vec_ellipsoid.h"
#include "group.h"
#include "update.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;

3
src/ASPHERE/fix_nve_line.cpp
View File

@ -11,9 +11,6 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstring>
#include "fix_nve_line.h"
#include "atom.h"
#include "atom_vec_line.h"

3
src/ASPHERE/fix_nve_tri.cpp
View File

@ -11,9 +11,6 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstring>
#include "fix_nve_tri.h"
#include "math_extra.h"
#include "atom.h"

2
src/ASPHERE/fix_nvt_asphere.cpp
View File

@ -11,8 +11,8 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cstring>
#include "fix_nvt_asphere.h"
#include <cstring>
#include "group.h"
#include "modify.h"
#include "error.h"

7
src/ASPHERE/pair_gayberne.cpp
View File

@ -15,11 +15,9 @@
Contributing author: Mike Brown (SNL)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_gayberne.h"
#include <mpi.h>
#include <cmath>
#include "math_extra.h"
#include "atom.h"
#include "atom_vec_ellipsoid.h"
@ -27,7 +25,6 @@
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "integrate.h"
#include "citeme.h"
#include "memory.h"
#include "error.h"

5
src/ASPHERE/pair_line_lj.cpp
View File

@ -11,11 +11,8 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_line_lj.h"
#include <cmath>
#include "atom.h"
#include "atom_vec_line.h"
#include "force.h"

7
src/ASPHERE/pair_resquared.cpp
View File

@ -15,11 +15,9 @@
Contributing author: Mike Brown (SNL)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_resquared.h"
#include <mpi.h>
#include <cmath>
#include "math_extra.h"
#include "atom.h"
#include "atom_vec_ellipsoid.h"
@ -27,7 +25,6 @@
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "integrate.h"
#include "memory.h"
#include "error.h"

5
src/ASPHERE/pair_tri_lj.cpp
View File

@ -11,11 +11,8 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_tri_lj.h"
#include <cmath>
#include "math_extra.h"
#include "atom.h"
#include "atom_vec_tri.h"

4
src/BODY/body_nparticle.cpp
View File

@ -11,8 +11,10 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cstdlib>
#include "body_nparticle.h"
#include <cstring>
#include <cstdlib>
#include "my_pool_chunk.h"
#include "math_extra.h"
#include "atom_vec_body.h"
#include "atom.h"

4
src/BODY/body_rounded_polygon.cpp
View File

@ -15,8 +15,10 @@
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
------------------------------------------------------------------------- */
#include <cstdlib>
#include "body_rounded_polygon.h"
#include <cmath>
#include <cstring>
#include "my_pool_chunk.h"
#include "atom_vec_body.h"
#include "atom.h"
#include "force.h"

6
src/BODY/body_rounded_polyhedron.cpp
View File

@ -15,12 +15,14 @@
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
------------------------------------------------------------------------- */
#include <cstdlib>
#include "body_rounded_polyhedron.h"
#include <cmath>
#include <cstring>
#include <cstdlib>
#include "my_pool_chunk.h"
#include "atom_vec_body.h"
#include "atom.h"
#include "force.h"
#include "domain.h"
#include "math_extra.h"
#include "memory.h"
#include "error.h"

6
src/BODY/compute_body_local.cpp
View File

@ -11,16 +11,14 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstring>
#include "compute_body_local.h"
#include <mpi.h>
#include <cstring>
#include "atom.h"
#include "atom_vec_body.h"
#include "body.h"
#include "update.h"
#include "domain.h"
#include "force.h"
#include "bond.h"
#include "memory.h"
#include "error.h"

3
src/BODY/compute_temp_body.cpp
View File

@ -16,9 +16,9 @@
based on ComputeTempAsphere
------------------------------------------------------------------------- */
#include "compute_temp_body.h"
#include <mpi.h>
#include <cstring>
#include "compute_temp_body.h"
#include "math_extra.h"
#include "atom.h"
#include "atom_vec_body.h"
@ -27,7 +27,6 @@
#include "domain.h"
#include "modify.h"
#include "group.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;

7
src/BODY/fix_nh_body.cpp
View File

@ -16,15 +16,10 @@
based on FixNHAsphere
------------------------------------------------------------------------- */
#include <cstring>
#include <cstdlib>
#include <cmath>
#include "math_extra.h"
#include "fix_nh_body.h"
#include "math_extra.h"
#include "atom.h"
#include "atom_vec_body.h"
#include "group.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;

2
src/BODY/fix_nph_body.cpp
View File

@ -15,8 +15,8 @@
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
------------------------------------------------------------------------- */
#include <cstring>
#include "fix_nph_body.h"
#include <cstring>
#include "modify.h"
#include "error.h"

2
src/BODY/fix_npt_body.cpp
View File

@ -15,8 +15,8 @@
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
------------------------------------------------------------------------- */
#include <cstring>
#include "fix_npt_body.h"
#include <cstring>
#include "modify.h"
#include "error.h"

6
src/BODY/fix_nve_body.cpp
View File

@ -11,16 +11,10 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstring>
#include "fix_nve_body.h"
#include "math_extra.h"
#include "atom.h"
#include "atom_vec_body.h"
#include "force.h"
#include "update.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;

2
src/BODY/fix_nvt_body.cpp
View File

@ -15,8 +15,8 @@
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
------------------------------------------------------------------------- */
#include <cstring>
#include "fix_nvt_body.h"
#include <cstring>
#include "group.h"
#include "modify.h"
#include "error.h"

8
src/BODY/fix_wall_body_polygon.cpp
View File

@ -15,19 +15,15 @@
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdlib>
#include <cstring>
#include "fix_wall_body_polygon.h"
#include <cmath>
#include <cstring>
#include "atom.h"
#include "atom_vec_body.h"
#include "body_rounded_polygon.h"
#include "domain.h"
#include "update.h"
#include "force.h"
#include "pair.h"
#include "modify.h"
#include "respa.h"
#include "math_const.h"
#include "math_extra.h"
#include "memory.h"

8
src/BODY/fix_wall_body_polyhedron.cpp
View File

@ -15,19 +15,15 @@
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdlib>
#include <cstring>
#include "fix_wall_body_polyhedron.h"
#include <cmath>
#include <cstring>
#include "atom.h"
#include "atom_vec_body.h"
#include "body_rounded_polyhedron.h"
#include "domain.h"
#include "update.h"
#include "force.h"
#include "pair.h"
#include "modify.h"
#include "respa.h"
#include "math_const.h"
#include "math_extra.h"
#include "memory.h"

6
src/BODY/pair_body_nparticle.cpp
View File

@ -11,11 +11,9 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_body_nparticle.h"
#include <cmath>
#include <cstring>
#include "math_extra.h"
#include "atom.h"
#include "atom_vec_body.h"

7
src/BODY/pair_body_rounded_polygon.cpp
View File

@ -18,11 +18,10 @@
the contact history for friction forces.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_body_rounded_polygon.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "math_extra.h"
#include "atom.h"
#include "atom_vec_body.h"

9
src/BODY/pair_body_rounded_polyhedron.cpp
View File

@ -20,12 +20,10 @@
the contact history for friction forces.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_body_rounded_polyhedron.h"
#include "math_extra.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "atom_vec_body.h"
#include "body_rounded_polyhedron.h"
@ -41,7 +39,6 @@
#include "math_const.h"
using namespace LAMMPS_NS;
using namespace MathExtra;
using namespace MathConst;
#define DELTA 10000

4
src/CLASS2/angle_class2.cpp
View File

@ -15,10 +15,10 @@
Contributing author: Eric Simon (Cray)
------------------------------------------------------------------------- */
#include "angle_class2.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include <cstdlib>
#include "angle_class2.h"
#include "atom.h"
#include "neighbor.h"
#include "domain.h"

1
src/CLASS2/angle_class2.h
View File

@ -20,7 +20,6 @@ AngleStyle(class2,AngleClass2)
#ifndef LMP_ANGLE_CLASS2_H
#define LMP_ANGLE_CLASS2_H
#include <cstdio>
#include "angle.h"
namespace LAMMPS_NS {

5
src/CLASS2/bond_class2.cpp
View File

@ -15,12 +15,11 @@
Contributing author: Eric Simon (Cray)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdlib>
#include "bond_class2.h"
#include <mpi.h>
#include <cmath>
#include "atom.h"
#include "neighbor.h"
#include "domain.h"
#include "comm.h"
#include "force.h"
#include "memory.h"

1
src/CLASS2/bond_class2.h
View File

@ -20,7 +20,6 @@ BondStyle(class2,BondClass2)
#ifndef LMP_BOND_CLASS2_H
#define LMP_BOND_CLASS2_H
#include <cstdio>
#include "bond.h"
namespace LAMMPS_NS {

5
src/CLASS2/dihedral_class2.cpp
View File

@ -15,14 +15,13 @@
Contributing author: Eric Simon (Cray)
------------------------------------------------------------------------- */
#include "dihedral_class2.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include <cstdlib>
#include "dihedral_class2.h"
#include "atom.h"
#include "neighbor.h"
#include "update.h"
#include "domain.h"
#include "comm.h"
#include "force.h"
#include "math_const.h"

1
src/CLASS2/dihedral_class2.h
View File

@ -20,7 +20,6 @@ DihedralStyle(class2,DihedralClass2)
#ifndef LMP_DIHEDRAL_CLASS2_H
#define LMP_DIHEDRAL_CLASS2_H
#include <cstdio>
#include "dihedral.h"
namespace LAMMPS_NS {

5
src/CLASS2/improper_class2.cpp
View File

@ -15,14 +15,13 @@
Contributing author: Eric Simon (Cray)
------------------------------------------------------------------------- */
#include "improper_class2.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include <cstdlib>
#include "improper_class2.h"
#include "atom.h"
#include "neighbor.h"
#include "update.h"
#include "domain.h"
#include "comm.h"
#include "force.h"
#include "math_const.h"

1
src/CLASS2/improper_class2.h
View File

@ -20,7 +20,6 @@ ImproperStyle(class2,ImproperClass2)
#ifndef LMP_IMPROPER_CLASS2_H
#define LMP_IMPROPER_CLASS2_H
#include <cstdio>
#include "improper.h"
namespace LAMMPS_NS {

8
src/CLASS2/pair_lj_class2.cpp
View File

@ -9,11 +9,10 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_class2.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "comm.h"
#include "force.h"
@ -21,7 +20,6 @@
#include "neigh_list.h"
#include "neigh_request.h"
#include "update.h"
#include "integrate.h"
#include "respa.h"
#include "math_const.h"
#include "memory.h"

7
src/CLASS2/pair_lj_class2_coul_cut.cpp
View File

@ -11,11 +11,10 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_class2_coul_cut.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "comm.h"
#include "force.h"

8
src/CLASS2/pair_lj_class2_coul_long.cpp
View File

@ -11,17 +11,15 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_class2_coul_long.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "kspace.h"
#include "update.h"
#include "integrate.h"
#include "respa.h"
#include "neighbor.h"
#include "neigh_list.h"

6
src/COLLOID/fix_wall_colloid.cpp
View File

@ -15,13 +15,11 @@
Contributing authors: Jeremy Lechman (SNL)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstring>
#include "fix_wall_colloid.h"
#include <mpi.h>
#include <cmath>
#include "atom.h"
#include "atom_vec.h"
#include "update.h"
#include "respa.h"
#include "error.h"
using namespace LAMMPS_NS;

10
src/COLLOID/pair_brownian.cpp
View File

@ -15,23 +15,19 @@
Contributing authors: Amit Kumar and Michael Bybee (UIUC)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_brownian.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "neigh_request.h"
#include "domain.h"
#include "update.h"
#include "modify.h"
#include "fix.h"
#include "fix_deform.h"
#include "fix_wall.h"
#include "input.h"
#include "variable.h"

11
src/COLLOID/pair_brownian_poly.cpp
View File

@ -16,14 +16,11 @@
Dave Heine (Corning), polydispersity
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_brownian_poly.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
@ -32,14 +29,12 @@
#include "update.h"
#include "modify.h"
#include "fix.h"
#include "fix_deform.h"
#include "fix_wall.h"
#include "input.h"
#include "variable.h"
#include "random_mars.h"
#include "math_const.h"
#include "math_special.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;

7
src/COLLOID/pair_colloid.cpp
View File

@ -15,15 +15,12 @@
Contributing author: Pieter in 't Veld (SNL)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_colloid.h"
#include <mpi.h>
#include <cmath>
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "math_special.h"
#include "memory.h"

10
src/COLLOID/pair_lubricate.cpp
View File

@ -16,18 +16,15 @@
Amit Kumar and Michael Bybee (UIUC)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lubricate.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "neigh_request.h"
#include "domain.h"
#include "modify.h"
#include "fix.h"
@ -35,7 +32,6 @@
#include "fix_wall.h"
#include "input.h"
#include "variable.h"
#include "random_mars.h"
#include "math_const.h"
#include "memory.h"
#include "error.h"

7
src/COLLOID/pair_lubricateU.cpp
View File

@ -15,25 +15,20 @@
Contributing authors: Amit Kumar and Michael Bybee (UIUC)
------------------------------------------------------------------------- */
#include "pair_lubricateU.h"
#include <mpi.h>
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lubricateU.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "neigh_request.h"
#include "domain.h"
#include "update.h"
#include "math_const.h"
#include "modify.h"
#include "fix.h"
#include "fix_deform.h"
#include "fix_wall.h"
#include "input.h"
#include "variable.h"

7
src/COLLOID/pair_lubricateU_poly.cpp
View File

@ -17,24 +17,19 @@
Dave Heine (Corning), polydispersity
------------------------------------------------------------------------- */
#include "pair_lubricateU_poly.h"
#include <mpi.h>
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lubricateU_poly.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "neigh_request.h"
#include "domain.h"
#include "update.h"
#include "modify.h"
#include "fix.h"
#include "fix_deform.h"
#include "fix_wall.h"
#include "input.h"
#include "variable.h"

10
src/COLLOID/pair_lubricate_poly.cpp
View File

@ -17,13 +17,11 @@
Dave Heine (Corning), polydispersity
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lubricate_poly.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
@ -33,8 +31,6 @@
#include "modify.h"
#include "fix.h"
#include "fix_deform.h"
#include "memory.h"
#include "random_mars.h"
#include "fix_wall.h"
#include "input.h"
#include "variable.h"

5
src/COLLOID/pair_yukawa_colloid.cpp
View File

@ -15,16 +15,13 @@
Contributing authors: Randy Schunk (Sandia)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdlib>
#include "pair_yukawa_colloid.h"
#include <cmath>
#include "atom.h"
#include "atom_vec.h"
#include "force.h"
#include "comm.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;

1
src/COMPRESS/dump_xyz_gz.cpp
View File

@ -12,7 +12,6 @@
------------------------------------------------------------------------- */
#include "dump_xyz_gz.h"
#include "domain.h"
#include "error.h"
#include "update.h"

7
src/CORESHELL/compute_temp_cs.cpp
View File

@ -16,11 +16,9 @@
(hendrik.heenen at mytum.com)
------------------------------------------------------------------------- */
#include <mpi.h>
#include <cstdlib>
#include <cstring>
#include <cmath>
#include "compute_temp_cs.h"
#include <mpi.h>
#include <cstring>
#include "atom.h"
#include "atom_vec.h"
#include "domain.h"
@ -28,7 +26,6 @@
#include "force.h"
#include "group.h"
#include "modify.h"
#include "fix.h"
#include "fix_store.h"
#include "comm.h"
#include "memory.h"

8
src/CORESHELL/pair_born_coul_dsf_cs.cpp
View File

@ -16,19 +16,13 @@
References: Fennell and Gezelter, JCP 124, 234104 (2006)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_born_coul_dsf_cs.h"
#include <cmath>
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "math_const.h"
#include "memory.h"
#include "error.h"
#include "math_special.h"
using namespace LAMMPS_NS;

12
src/CORESHELL/pair_born_coul_long_cs.cpp
View File

@ -15,23 +15,13 @@
Contributing author: Hendrik Heenen (hendrik.heenen@mytum.de)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_born_coul_long_cs.h"
#include <cmath>
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "kspace.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "math_const.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;
using namespace MathConst;
#define EWALD_F 1.12837917
#define EWALD_P 9.95473818e-1

10
src/CORESHELL/pair_born_coul_wolf_cs.cpp
View File

@ -12,24 +12,16 @@
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_born_coul_wolf_cs.h"
#include <cmath>
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "math_const.h"
#include "math_special.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;
using namespace MathConst;
using namespace MathSpecial;
#define EPSILON 1.0e-20

12
src/CORESHELL/pair_buck_coul_long_cs.cpp
View File

@ -15,23 +15,13 @@
Contributing author: Hendrik Heenen (hendrik.heenen@mytum.de)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_buck_coul_long_cs.h"
#include <cmath>
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "kspace.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "math_const.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;
using namespace MathConst;
#define EWALD_F 1.12837917
#define EWALD_P 9.95473818e-1

13
src/CORESHELL/pair_coul_long_cs.cpp
View File

@ -15,22 +15,11 @@
Contributing author: Hendrik Heenen (hendrik.heenen@mytum.de)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_coul_long_cs.h"
#include <cmath>
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "kspace.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "update.h"
#include "integrate.h"
#include "respa.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;

11
src/CORESHELL/pair_coul_wolf_cs.cpp
View File

@ -11,25 +11,16 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_coul_wolf_cs.h"
#include <cmath>
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "math_const.h"
#include "math_special.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;
using namespace MathConst;
using namespace MathSpecial;
#define EPSILON 1.0e-20

16
src/CORESHELL/pair_lj_cut_coul_long_cs.cpp
View File

@ -15,27 +15,13 @@
Contributing author: Hendrik Heenen (hendrik.heenen@mytum.de)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_cut_coul_long_cs.h"
#include <cmath>
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "kspace.h"
#include "update.h"
#include "integrate.h"
#include "respa.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "neigh_request.h"
#include "math_const.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;
using namespace MathConst;
#define EWALD_F 1.12837917
#define EWALD_P 9.95473818e-1

4
src/DIPOLE/atom_vec_dipole.cpp
View File

@ -11,13 +11,11 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdlib>
#include "atom_vec_dipole.h"
#include <cmath>
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "force.h"
#include "modify.h"
#include "fix.h"
#include "memory.h"

6
src/DIPOLE/pair_lj_cut_dipole_cut.cpp
View File

@ -11,10 +11,10 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdlib>
#include <cstring>
#include "pair_lj_cut_dipole_cut.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "neighbor.h"
#include "neigh_list.h"

7
src/DIPOLE/pair_lj_cut_dipole_long.cpp
View File

@ -11,11 +11,10 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_cut_dipole_long.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "comm.h"
#include "neighbor.h"

8
src/DIPOLE/pair_lj_long_dipole_long.cpp
View File

@ -15,23 +15,19 @@
Contributing author: Pieter J. in 't Veld and Stan Moore (Sandia)
------------------------------------------------------------------------- */
#include "pair_lj_long_dipole_long.h"
#include <mpi.h>
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "math_const.h"
#include "math_vector.h"
#include "pair_lj_long_dipole_long.h"
#include "atom.h"
#include "comm.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "neigh_request.h"
#include "force.h"
#include "kspace.h"
#include "update.h"
#include "integrate.h"
#include "respa.h"
#include "memory.h"
#include "error.h"

2
src/GPU/fix_gpu.cpp
View File

@ -11,9 +11,9 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "fix_gpu.h"
#include <cstring>
#include <cstdlib>
#include "fix_gpu.h"
#include "atom.h"
#include "force.h"
#include "pair.h"

2
src/GPU/pair_beck_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Dac Nguyen (ORNL)
------------------------------------------------------------------------- */
#include "pair_beck_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_beck_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_born_coul_long_cs_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Dac Nguyen (Northwestern)
------------------------------------------------------------------------- */
#include "pair_born_coul_long_cs_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_born_coul_long_cs_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_born_coul_long_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Dac Nguyen (ORNL)
------------------------------------------------------------------------- */
#include "pair_born_coul_long_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_born_coul_long_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_born_coul_wolf_cs_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing authors: Trung Dac Nguyen (Northwestern)
------------------------------------------------------------------------- */
#include "pair_born_coul_wolf_cs_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_born_coul_wolf_cs_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_born_coul_wolf_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing authors: Trung Dac Nguyen (ORNL)
------------------------------------------------------------------------- */
#include "pair_born_coul_wolf_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_born_coul_wolf_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_born_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Dac Nguyen (ORNL)
------------------------------------------------------------------------- */
#include "pair_born_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_born_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_buck_coul_cut_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing authors: Trung Dac Nguyen (ORNL)
------------------------------------------------------------------------- */
#include "pair_buck_coul_cut_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_buck_coul_cut_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_buck_coul_long_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Dac Nguyen (ORNL)
------------------------------------------------------------------------- */
#include "pair_buck_coul_long_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_buck_coul_long_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_buck_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Dac Nguyen (ORNL)
------------------------------------------------------------------------- */
#include "pair_buck_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_buck_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_colloid_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Dac Nguyen (ORNL)
------------------------------------------------------------------------- */
#include "pair_colloid_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_colloid_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_coul_cut_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Dac Nguyen
------------------------------------------------------------------------- */
#include "pair_coul_cut_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_coul_cut_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_coul_debye_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Dac Nguyen (ndtrung@umich.edu)
------------------------------------------------------------------------- */
#include "pair_coul_debye_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_coul_debye_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_coul_dsf_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Dac Nguyen (ORNL)
------------------------------------------------------------------------- */
#include "pair_coul_dsf_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_coul_dsf_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_coul_long_cs_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Nguyen (Northwestern)
------------------------------------------------------------------------- */
#include "pair_coul_long_cs_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_coul_long_cs_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_coul_long_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Axel Kohlmeyer (Temple)
------------------------------------------------------------------------- */
#include "pair_coul_long_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_coul_long_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_dpd_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Dac Nguyen (ORNL)
------------------------------------------------------------------------- */
#include "pair_dpd_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_dpd_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_dpd_tstat_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Dac Nguyen (ORNL)
------------------------------------------------------------------------- */
#include "pair_dpd_tstat_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_dpd_tstat_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_eam_alloy_gpu.cpp
View File

@ -15,10 +15,10 @@
Contributing authors: Trung Dac Nguyen (ORNL), W. Michael Brown (ORNL)
------------------------------------------------------------------------- */
#include "pair_eam_alloy_gpu.h"
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_eam_alloy_gpu.h"
#include "atom.h"
#include "force.h"
#include "comm.h"

2
src/GPU/pair_eam_fs_gpu.cpp
View File

@ -15,10 +15,10 @@
Contributing authors: Trung Dac Nguyen (ORNL), W. Michael Brown (ORNL)
------------------------------------------------------------------------- */
#include "pair_eam_fs_gpu.h"
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_eam_fs_gpu.h"
#include "atom.h"
#include "force.h"
#include "comm.h"

2
src/GPU/pair_eam_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing authors: Trung Dac Nguyen (ORNL), W. Michael Brown (ORNL)
------------------------------------------------------------------------- */
#include "pair_eam_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_eam_gpu.h"
#include "atom.h"
#include "force.h"
#include "comm.h"

1
src/GPU/pair_eam_gpu.h
View File

@ -20,7 +20,6 @@ PairStyle(eam/gpu,PairEAMGPU)
#ifndef LMP_PAIR_EAM_GPU_H
#define LMP_PAIR_EAM_GPU_H
#include <cstdio>
#include "pair_eam.h"
namespace LAMMPS_NS {

2
src/GPU/pair_gauss_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Dac Nguyen (ORNL)
------------------------------------------------------------------------- */
#include "pair_gauss_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_gauss_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_gayberne_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Mike Brown (SNL)
------------------------------------------------------------------------- */
#include "pair_gayberne_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_gayberne_gpu.h"
#include "math_extra.h"
#include "atom.h"
#include "atom_vec.h"

2
src/GPU/pair_lj96_cut_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Mike Brown (SNL)
------------------------------------------------------------------------- */
#include "pair_lj96_cut_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj96_cut_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_lj_charmm_coul_long_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Mike Brown (SNL)
------------------------------------------------------------------------- */
#include "pair_lj_charmm_coul_long_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_charmm_coul_long_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_lj_class2_coul_long_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Mike Brown (SNL)
------------------------------------------------------------------------- */
#include "pair_lj_class2_coul_long_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_class2_coul_long_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_lj_class2_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Mike Brown (SNL)
------------------------------------------------------------------------- */
#include "pair_lj_class2_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_class2_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_lj_cubic_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Dac Nguyen (ndactrung@gmail.com)
------------------------------------------------------------------------- */
#include "pair_lj_cubic_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_cubic_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_lj_cut_coul_cut_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Mike Brown (SNL)
------------------------------------------------------------------------- */
#include "pair_lj_cut_coul_cut_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_cut_coul_cut_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_lj_cut_coul_debye_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Dac Nguyen (ORNL)
------------------------------------------------------------------------- */
#include "pair_lj_cut_coul_debye_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_cut_coul_debye_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_lj_cut_coul_dsf_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Mike Brown (SNL)
------------------------------------------------------------------------- */
#include "pair_lj_cut_coul_dsf_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_cut_coul_dsf_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_lj_cut_coul_long_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Mike Brown (SNL)
------------------------------------------------------------------------- */
#include "pair_lj_cut_coul_long_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_cut_coul_long_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_lj_cut_coul_msm_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Dac Nguyen (ORNL)
------------------------------------------------------------------------- */
#include "pair_lj_cut_coul_msm_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_cut_coul_msm_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_lj_cut_dipole_cut_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Dac Nguyen (ORNL)
------------------------------------------------------------------------- */
#include "pair_lj_cut_dipole_cut_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_cut_dipole_cut_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

2
src/GPU/pair_lj_cut_dipole_long_gpu.cpp
View File

@ -15,11 +15,11 @@
Contributing author: Trung Dac Nguyen (Northwestern)
------------------------------------------------------------------------- */
#include "pair_lj_cut_dipole_long_gpu.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_cut_dipole_long_gpu.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"

Some files were not shown because too many files have changed in this diff Show More