diff --git a/src/WINDOWS/LAMMPS.sln b/src/WINDOWS/LAMMPS.sln new file mode 100644 index 0000000000000000000000000000000000000000..6f8ba82ff74b219c2f30849bcb63b71f90b1d6be --- /dev/null +++ b/src/WINDOWS/LAMMPS.sln @@ -0,0 +1,36 @@ + +Microsoft Visual Studio Solution File, Format Version 9.00 +# Visual Studio 2005 +Project("{8BC9CEB8-8B4A-11D0-8D11-00A0C91BC942}") = "STUBS", "STUBS.vcproj", "{FD83089F-1BF6-455F-9BEA-BB1C21FC137C}" +EndProject +Project("{8BC9CEB8-8B4A-11D0-8D11-00A0C91BC942}") = "LAMMPS", "LAMMPS.vcproj", "{74AC9767-A52F-47BD-BB26-07C739DA3EA5}" +EndProject +Global + GlobalSection(SolutionConfigurationPlatforms) = preSolution + Debug_STUBS|Win32 = Debug_STUBS|Win32 + Debug|Win32 = Debug|Win32 + Release_STUBS|Win32 = Release_STUBS|Win32 + Release|Win32 = Release|Win32 + EndGlobalSection + GlobalSection(ProjectConfigurationPlatforms) = postSolution + {FD83089F-1BF6-455F-9BEA-BB1C21FC137C}.Debug_STUBS|Win32.ActiveCfg = Debug_STUBS|Win32 + {FD83089F-1BF6-455F-9BEA-BB1C21FC137C}.Debug_STUBS|Win32.Build.0 = Debug_STUBS|Win32 + {FD83089F-1BF6-455F-9BEA-BB1C21FC137C}.Debug|Win32.ActiveCfg = Debug_STUBS|Win32 + {FD83089F-1BF6-455F-9BEA-BB1C21FC137C}.Debug|Win32.Build.0 = Debug_STUBS|Win32 + {FD83089F-1BF6-455F-9BEA-BB1C21FC137C}.Release_STUBS|Win32.ActiveCfg = Release_STUBS|Win32 + {FD83089F-1BF6-455F-9BEA-BB1C21FC137C}.Release_STUBS|Win32.Build.0 = Release_STUBS|Win32 + {FD83089F-1BF6-455F-9BEA-BB1C21FC137C}.Release|Win32.ActiveCfg = Release_STUBS|Win32 + {FD83089F-1BF6-455F-9BEA-BB1C21FC137C}.Release|Win32.Build.0 = Release_STUBS|Win32 + {74AC9767-A52F-47BD-BB26-07C739DA3EA5}.Debug_STUBS|Win32.ActiveCfg = Debug_STUBS|Win32 + {74AC9767-A52F-47BD-BB26-07C739DA3EA5}.Debug_STUBS|Win32.Build.0 = Debug_STUBS|Win32 + {74AC9767-A52F-47BD-BB26-07C739DA3EA5}.Debug|Win32.ActiveCfg = Debug|Win32 + {74AC9767-A52F-47BD-BB26-07C739DA3EA5}.Debug|Win32.Build.0 = Debug|Win32 + {74AC9767-A52F-47BD-BB26-07C739DA3EA5}.Release_STUBS|Win32.ActiveCfg = Release_STUBS|Win32 + {74AC9767-A52F-47BD-BB26-07C739DA3EA5}.Release_STUBS|Win32.Build.0 = Release_STUBS|Win32 + {74AC9767-A52F-47BD-BB26-07C739DA3EA5}.Release|Win32.ActiveCfg = Release|Win32 + {74AC9767-A52F-47BD-BB26-07C739DA3EA5}.Release|Win32.Build.0 = Release|Win32 + EndGlobalSection + GlobalSection(SolutionProperties) = preSolution + HideSolutionNode = FALSE + EndGlobalSection +EndGlobal diff --git a/src/WINDOWS/LAMMPS.vcproj b/src/WINDOWS/LAMMPS.vcproj new file mode 100644 index 0000000000000000000000000000000000000000..e3eb12970dbe5569952d0d29890527eeac052e6e --- /dev/null +++ b/src/WINDOWS/LAMMPS.vcproj @@ -0,0 +1,2957 @@ +<?xml version="1.0" encoding="windows-1251"?> +<VisualStudioProject + ProjectType="Visual C++" + Version="8,00" + Name="LAMMPS" + ProjectGUID="{74AC9767-A52F-47BD-BB26-07C739DA3EA5}" + RootNamespace="testmacro" + Keyword="Win32Proj" + > + <Platforms> + <Platform + Name="Win32" + /> + 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RelativePath="..\KSPACE\pppm_tip4p.cpp" + > + </File> + <File + RelativePath="..\KSPACE\pppm_tip4p.h" + > + </File> + <File + RelativePath="..\KSPACE\remap.cpp" + > + </File> + <File + RelativePath="..\KSPACE\remap.h" + > + </File> + <File + RelativePath="..\KSPACE\remap_wrap.cpp" + > + </File> + <File + RelativePath="..\KSPACE\remap_wrap.h" + > + </File> + </Filter> + <Filter + Name="MOLECULE" + > + <File + RelativePath="..\MOLECULE\angle_charmm.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\angle_charmm.h" + > + </File> + <File + RelativePath="..\MOLECULE\angle_cosine.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\angle_cosine.h" + > + </File> + <File + RelativePath="..\MOLECULE\angle_cosine_delta.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\angle_cosine_delta.h" + > + </File> + <File + RelativePath="..\MOLECULE\angle_cosine_periodic.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\angle_cosine_periodic.h" + > + </File> + <File + RelativePath="..\MOLECULE\angle_cosine_squared.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\angle_cosine_squared.h" + > + </File> + <File + RelativePath="..\MOLECULE\angle_harmonic.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\angle_harmonic.h" + > + </File> + <File + RelativePath="..\MOLECULE\angle_hybrid.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\angle_hybrid.h" + > + </File> + <File + RelativePath="..\MOLECULE\angle_table.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\angle_table.h" + > + </File> + <File + RelativePath="..\MOLECULE\atom_vec_angle.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\atom_vec_angle.h" + > + </File> + <File + RelativePath="..\MOLECULE\atom_vec_bond.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\atom_vec_bond.h" + > + </File> + <File + RelativePath="..\MOLECULE\atom_vec_full.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\atom_vec_full.h" + > + </File> + <File + RelativePath="..\MOLECULE\atom_vec_molecular.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\atom_vec_molecular.h" + > + </File> + <File + RelativePath="..\MOLECULE\bond_fene.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\bond_fene.h" + > + </File> + <File + RelativePath="..\MOLECULE\bond_fene_expand.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\bond_fene_expand.h" + > + </File> + <File + RelativePath="..\MOLECULE\bond_harmonic.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\bond_harmonic.h" + > + </File> + <File + RelativePath="..\MOLECULE\bond_morse.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\bond_morse.h" + > + </File> + <File + RelativePath="..\MOLECULE\bond_nonlinear.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\bond_nonlinear.h" + > + </File> + <File + RelativePath="..\MOLECULE\bond_quartic.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\bond_quartic.h" + > + </File> + <File + RelativePath="..\MOLECULE\bond_table.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\bond_table.h" + > + </File> + <File + RelativePath="..\MOLECULE\dihedral_charmm.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\dihedral_charmm.h" + > + </File> + <File + RelativePath="..\MOLECULE\dihedral_harmonic.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\dihedral_harmonic.h" + > + </File> + <File + RelativePath="..\MOLECULE\dihedral_helix.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\dihedral_helix.h" + > + </File> + <File + RelativePath="..\MOLECULE\dihedral_hybrid.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\dihedral_hybrid.h" + > + </File> + <File + RelativePath="..\MOLECULE\dihedral_multi_harmonic.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\dihedral_multi_harmonic.h" + > + </File> + <File + RelativePath="..\MOLECULE\dihedral_opls.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\dihedral_opls.h" + > + </File> + <File + RelativePath="..\MOLECULE\improper_cvff.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\improper_cvff.h" + > + </File> + <File + RelativePath="..\MOLECULE\improper_harmonic.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\improper_harmonic.h" + > + </File> + <File + RelativePath="..\MOLECULE\improper_hybrid.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\improper_hybrid.h" + > + </File> + <File + RelativePath="..\MOLECULE\improper_umbrella.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\improper_umbrella.h" + > + </File> + <File + RelativePath="..\MOLECULE\pair_hbond_dreiding_lj.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\pair_hbond_dreiding_lj.h" + > + </File> + <File + RelativePath="..\MOLECULE\pair_hbond_dreiding_morse.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\pair_hbond_dreiding_morse.h" + > + </File> + <File + RelativePath="..\MOLECULE\pair_lj_charmm_coul_charmm.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\pair_lj_charmm_coul_charmm.h" + > + </File> + <File + RelativePath="..\MOLECULE\pair_lj_charmm_coul_charmm_implicit.cpp" + > + </File> + <File + RelativePath="..\MOLECULE\pair_lj_charmm_coul_charmm_implicit.h" + > + </File> + </Filter> + <Filter + Name="ASPHERE" + > + </Filter> + <Filter + Name="CLASS2" + > + </Filter> + <Filter + Name="DIPOLE" + > + </Filter> + <Filter + Name="COLLOID" + > + </Filter> + <Filter + Name="FLD" + > + </Filter> + <Filter + Name="REAX" + > + </Filter> + <Filter + Name="REPLICA" + > + </Filter> + <Filter + Name="SHOCK" + > + </Filter> + <Filter + Name="SRD" + > + </Filter> + <Filter + Name="KIM" + > + </Filter> + <Filter + Name="USER-REAXC" + > + </Filter> + <Filter + Name="USER-SPH" + > + </Filter> + <Filter + Name="XTC" + > + </Filter> + <Filter + Name="GRANULAR" + > + </Filter> + <Filter + Name="MC" + > + </Filter> + <Filter + Name="MEAM" + > + </Filter> + <Filter + Name="OPT" + > + </Filter> + <Filter + Name="PERI" + > + </Filter> + <Filter + Name="POEMS" + > + </Filter> + <Filter + Name="USER-ATC" + > + </Filter> + <Filter + Name="USER-CUDA" + > + </Filter> + <Filter + Name="USER-EFF" + > + </Filter> + <Filter + Name="USER-EWALDN" + > + </Filter> + <Filter + Name="USER-MISC" + > + </Filter> + <Filter + Name="USER-OMP" + > + </Filter> + <Filter + Name="USER-AWPMD" + > + </Filter> + <Filter + Name="USER-CG-CMM" + > + </Filter> + <Filter + Name="GPU" + > + </Filter> + </Filter> + <Filter + Name="settings" + > + <File + RelativePath=".\settings\style_angle.h" + > + </File> + <File + RelativePath=".\settings\style_atom.h" + > + </File> + <File + RelativePath=".\settings\style_bond.h" + > + </File> + <File + RelativePath=".\settings\style_command.h" + > + </File> + <File + RelativePath=".\settings\style_compute.h" + > + </File> + <File + RelativePath=".\settings\style_dihedral.h" + > + </File> + <File + RelativePath=".\settings\style_dump.h" + > + </File> + <File + RelativePath=".\settings\style_fix.h" + > + </File> + <File + RelativePath=".\settings\style_improper.h" + > + </File> + <File + RelativePath=".\settings\style_integrate.h" + > + </File> + <File + RelativePath=".\settings\style_kspace.h" + > + </File> + <File + RelativePath=".\settings\style_minimize.h" + > + </File> + <File + RelativePath=".\settings\style_pair.h" + > + </File> + <File + RelativePath=".\settings\style_region.h" + > + </File> + </Filter> + <Filter + Name="extra" + > + <File + RelativePath=".\extra\erf.h" + > + </File> + <File + RelativePath=".\extra\erf_namd.c" + > + </File> + <File + RelativePath=".\extra\sleep.cpp" + > + </File> + <File + RelativePath=".\extra\sleep.h" + > + </File> + </Filter> + </Files> + <Globals> + </Globals> +</VisualStudioProject> diff --git a/src/WINDOWS/LAMMPS.vsmacros b/src/WINDOWS/LAMMPS.vsmacros new file mode 100644 index 0000000000000000000000000000000000000000..629be59ad6f699f216310320bfe0f1daea4e8dd5 Binary files /dev/null and b/src/WINDOWS/LAMMPS.vsmacros differ diff --git a/src/WINDOWS/README.txt b/src/WINDOWS/README.txt new file mode 100644 index 0000000000000000000000000000000000000000..cda61e84ca773657d110aa524b3b1efdab6369d5 --- /dev/null +++ b/src/WINDOWS/README.txt @@ -0,0 +1,78 @@ +INSTRUCTIONS FOR COMPILING LAMMPS WITH VISUAL STUDIO 2005 + +The provided project + +LAMMPS.vcproj + +includes the minimal package set: KSPACE, MANYBODY, MOLECULE. + +The package set may be reconfiured with the help of the supplied VS +macro (see below). + +The project has configurations to compile either with MPI support or +with MPI stubs. + +To compile with MPI: + +1. Install MPICH for Windows, specify the corresponding include and + lib directories in MSVS/Tools/Options/Projects and Solutions/VC++ + Directories + +2. Compile LAMMPS using Debug or Release configurations from the + provided projects + +To compile with MPI STUBS + +1. Compile STUBS.vcproj + +2. Compile LAMMPS using Debug_STUBS or Release_STUBS configurations +from the provided project + +To run the code you may need mpich and fftw213 dlls accessible by the +system search (they may be copied to Windows/system32 directory). The +fftw213 dlls can be found in vs9/extra/fftw213 or downloaded from the +fftw site + +To customise the packages via a Visual Basic macro: + +1. Load LAMMPS solution in Visual Studio IDE +2. Select in the main menu "Tools/Macros/Load Macro Project..." + and load the file src/WINDOWS/LAMMPS.vsmacros +3. In the "Macro Explorer" on the right panel open LAMMPS and LAMMPS_settings +4. Double click on "ManagePackages" to run the configuration + macro. Please note that the window for running macro sometimes + opens in the background, so use Alt-TAB to locate it. +5. Configure a custom set of packages and press Ok. Wait till the + macro completes. +6. Rebuild the LAMMPS project + +Before the first build or after an update from LAMMPS src repository +it is recommended to run "ManagePackages" macro an check "Refresh file +list in src filter" to get an up to date list of source files in the +"src" project filter. This may be needed as the file composition in +src may change between LAMMPS releases. + +Some of the packages were not tested to be compatible with VS compiler +or require additional libraries. They are marked with asterics in the +package list displayed when the macro is running. If you wish to try +those packages, install them using the macro and then change the +project properties (libraries, includes, etc.) manually. + +Please note that "ManagePackages" macro works on the project named +LAMMPS. So if you rename the LAMMPS project and still want to use +automatic package configuration, please specify the new name in the +line "Dim LAMMPS_project_name As String =" at the beginning of the +macro code. + +The default package options such as the path to include and library +files, description, etc can also be changed by editing the +"ManagePackages" macro code. To do this right click on +"ManagePackages" in the "Macro Explorer" and select Edit. Then go to +the section named + +"===================== Custom Package options ========================", + +find the required package and change its properties by modyfing the +corresponding PKG_OPTS(...) entry. + + diff --git a/src/WINDOWS/STUBS.vcproj b/src/WINDOWS/STUBS.vcproj new file mode 100644 index 0000000000000000000000000000000000000000..e4660bd7cd19a754b763471332682d507128fe0d --- /dev/null +++ b/src/WINDOWS/STUBS.vcproj @@ -0,0 +1,156 @@ +<?xml version="1.0" encoding="UTF-8"?> +<VisualStudioProject + ProjectType="Visual C++" + Version="8.00" + Name="STUBS" + ProjectGUID="{FD83089F-1BF6-455F-9BEA-BB1C21FC137C}" + RootNamespace="stubs" + Keyword="Win32Proj" + > + <Platforms> + <Platform + Name="Win32" + /> + </Platforms> + <ToolFiles> + </ToolFiles> + <Configurations> + <Configuration + Name="Debug_STUBS|Win32" + OutputDirectory="$(ConfigurationName)" + IntermediateDirectory="$(ConfigurationName)" + ConfigurationType="4" + > + <Tool + Name="VCPreBuildEventTool" + /> + <Tool + Name="VCCustomBuildTool" + /> + <Tool + Name="VCXMLDataGeneratorTool" + /> + <Tool + Name="VCWebServiceProxyGeneratorTool" + /> + <Tool + Name="VCMIDLTool" + /> + <Tool + Name="VCCLCompilerTool" + Optimization="0" + AdditionalIncludeDirectories="extra" + PreprocessorDefinitions="WIN32;_DEBUG;_LIB;_CRT_SECURE_NO_WARNINGS" + MinimalRebuild="true" + BasicRuntimeChecks="3" + RuntimeLibrary="3" + UsePrecompiledHeader="0" + ProgramDataBaseFileName="$(IntDir)\$(ProjectName).pdb" + WarningLevel="3" + Detect64BitPortabilityProblems="true" + DebugInformationFormat="3" + /> + <Tool + Name="VCManagedResourceCompilerTool" + /> + <Tool + Name="VCResourceCompilerTool" + /> + <Tool + Name="VCPreLinkEventTool" + /> + <Tool + Name="VCLibrarianTool" + /> + <Tool + Name="VCALinkTool" + /> + <Tool + Name="VCXDCMakeTool" + /> + <Tool + Name="VCBscMakeTool" + /> + <Tool + Name="VCFxCopTool" + /> + <Tool + Name="VCPostBuildEventTool" + /> + </Configuration> + <Configuration + Name="Release_STUBS|Win32" + OutputDirectory="$(ConfigurationName)" + IntermediateDirectory="$(ConfigurationName)" + ConfigurationType="4" + > + <Tool + Name="VCPreBuildEventTool" + /> + <Tool + Name="VCCustomBuildTool" + /> + <Tool + Name="VCXMLDataGeneratorTool" + /> + <Tool + Name="VCWebServiceProxyGeneratorTool" + /> + <Tool + Name="VCMIDLTool" + /> + <Tool + Name="VCCLCompilerTool" + AdditionalIncludeDirectories="extra" + PreprocessorDefinitions="WIN32;NDEBUG;_LIB;_CRT_SECURE_NO_WARNINGS" + RuntimeLibrary="2" + UsePrecompiledHeader="0" + ProgramDataBaseFileName="$(IntDir)\$(ProjectName).pdb" + WarningLevel="3" + Detect64BitPortabilityProblems="true" + DebugInformationFormat="3" + /> + <Tool + Name="VCManagedResourceCompilerTool" + /> + <Tool + Name="VCResourceCompilerTool" + /> + <Tool + Name="VCPreLinkEventTool" + /> + <Tool + Name="VCLibrarianTool" + /> + <Tool + Name="VCALinkTool" + /> + <Tool + Name="VCXDCMakeTool" + /> + <Tool + Name="VCBscMakeTool" + /> + <Tool + Name="VCFxCopTool" + /> + <Tool + Name="VCPostBuildEventTool" + /> + </Configuration> + </Configurations> + <References> + </References> + <Files> + <File + RelativePath="..\STUBS\mpi.c" + > + </File> + <File + RelativePath="..\STUBS\mpi.h" + > + </File> + </Files> + <Globals> + </Globals> +</VisualStudioProject> diff --git a/src/WINDOWS/extra/dirent.h b/src/WINDOWS/extra/dirent.h new file mode 100644 index 0000000000000000000000000000000000000000..79e946d079db9db9e64ade653f52991d2be80581 --- /dev/null +++ b/src/WINDOWS/extra/dirent.h @@ -0,0 +1,372 @@ +/***************************************************************************** + * dirent.h - dirent API for Microsoft Visual Studio + * + * Copyright (C) 2006 Toni Ronkko + * + * Permission is hereby granted, free of charge, to any person obtaining + * a copy of this software and associated documentation files (the + * ``Software''), to deal in the Software without restriction, including + * without limitation the rights to use, copy, modify, merge, publish, + * distribute, sublicense, and/or sell copies of the Software, and to + * permit persons to whom the Software is furnished to do so, subject to + * the following conditions: + * + * The above copyright notice and this permission notice shall be included + * in all copies or substantial portions of the Software. + * + * 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 TONI RONKKO 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. + * + * Mar 15, 2011, Toni Ronkko + * Defined FILE_ATTRIBUTE_DEVICE for MSVC 6.0. + * + * Aug 11, 2010, Toni Ronkko + * Added d_type and d_namlen fields to dirent structure. The former is + * especially useful for determining whether directory entry represents a + * file or a directory. For more information, see + * http://www.delorie.com/gnu/docs/glibc/libc_270.html + * + * Aug 11, 2010, Toni Ronkko + * Improved conformance to the standards. For example, errno is now set + * properly on failure and assert() is never used. Thanks to Peter Brockam + * for suggestions. + * + * Aug 11, 2010, Toni Ronkko + * Fixed a bug in rewinddir(): when using relative directory names, change + * of working directory no longer causes rewinddir() to fail. + * + * Dec 15, 2009, John Cunningham + * Added rewinddir member function + * + * Jan 18, 2008, Toni Ronkko + * Using FindFirstFileA and WIN32_FIND_DATAA to avoid converting string + * between multi-byte and unicode representations. This makes the + * code simpler and also allows the code to be compiled under MingW. Thanks + * to Azriel Fasten for the suggestion. + * + * Mar 4, 2007, Toni Ronkko + * Bug fix: due to the strncpy_s() function this file only compiled in + * Visual Studio 2005. Using the new string functions only when the + * compiler version allows. + * + * Nov 2, 2006, Toni Ronkko + * Major update: removed support for Watcom C, MS-DOS and Turbo C to + * simplify the file, updated the code to compile cleanly on Visual + * Studio 2005 with both unicode and multi-byte character strings, + * removed rewinddir() as it had a bug. + * + * Aug 20, 2006, Toni Ronkko + * Removed all remarks about MSVC 1.0, which is antiqued now. Simplified + * comments by removing SGML tags. + * + * May 14 2002, Toni Ronkko + * Embedded the function definitions directly to the header so that no + * source modules need to be included in the Visual Studio project. Removed + * all the dependencies to other projects so that this very header can be + * used independently. + * + * May 28 1998, Toni Ronkko + * First version. + *****************************************************************************/ +#ifndef DIRENT_H +#define DIRENT_H + +#define WIN32_LEAN_AND_MEAN +#include <windows.h> +#include <string.h> +#include <stdlib.h> +#include <sys/types.h> +#include <sys/stat.h> +#include <errno.h> + +/* Entries missing from MSVC 6.0 */ +#if !defined(FILE_ATTRIBUTE_DEVICE) +# define FILE_ATTRIBUTE_DEVICE 0x40 +#endif + +/* File type and permission flags for stat() */ +#if defined(_MSC_VER) && !defined(S_IREAD) +# define S_IFMT _S_IFMT /* file type mask */ +# define S_IFDIR _S_IFDIR /* directory */ +# define S_IFCHR _S_IFCHR /* character device */ +# define S_IFFIFO _S_IFFIFO /* pipe */ +# define S_IFREG _S_IFREG /* regular file */ +# define S_IREAD _S_IREAD /* read permission */ +# define S_IWRITE _S_IWRITE /* write permission */ +# define S_IEXEC _S_IEXEC /* execute permission */ +#endif +#define S_IFBLK 0 /* block device */ +#define S_IFLNK 0 /* link */ +#define S_IFSOCK 0 /* socket */ + +#if defined(_MSC_VER) +# define S_IRUSR S_IREAD /* read, user */ +# define S_IWUSR S_IWRITE /* write, user */ +# define S_IXUSR 0 /* execute, user */ +# define S_IRGRP 0 /* read, group */ +# define S_IWGRP 0 /* write, group */ +# define S_IXGRP 0 /* execute, group */ +# define S_IROTH 0 /* read, others */ +# define S_IWOTH 0 /* write, others */ +# define S_IXOTH 0 /* execute, others */ +#endif + +/* Indicates that d_type field is available in dirent structure */ +#define _DIRENT_HAVE_D_TYPE + +/* File type flags for d_type */ +#define DT_UNKNOWN 0 +#define DT_REG S_IFREG +#define DT_DIR S_IFDIR +#define DT_FIFO S_IFFIFO +#define DT_SOCK S_IFSOCK +#define DT_CHR S_IFCHR +#define DT_BLK S_IFBLK + +/* Macros for converting between st_mode and d_type */ +#define IFTODT(mode) ((mode) & S_IFMT) +#define DTTOIF(type) (type) + +/* + * File type macros. Note that block devices, sockets and links cannot be + * distinguished on Windows and the macros S_ISBLK, S_ISSOCK and S_ISLNK are + * only defined for compatibility. These macros should always return false + * on Windows. + */ +#define S_ISFIFO(mode) (((mode) & S_IFMT) == S_IFFIFO) +#define S_ISDIR(mode) (((mode) & S_IFMT) == S_IFDIR) +#define S_ISREG(mode) (((mode) & S_IFMT) == S_IFREG) +#define S_ISLNK(mode) (((mode) & S_IFMT) == S_IFLNK) +#define S_ISSOCK(mode) (((mode) & S_IFMT) == S_IFSOCK) +#define S_ISCHR(mode) (((mode) & S_IFMT) == S_IFCHR) +#define S_ISBLK(mode) (((mode) & S_IFMT) == S_IFBLK) + +#ifdef __cplusplus +extern "C" { +#endif + + +typedef struct dirent +{ + char d_name[MAX_PATH + 1]; /* File name */ + size_t d_namlen; /* Length of name without \0 */ + int d_type; /* File type */ +} dirent; + + +typedef struct DIR +{ + dirent curentry; /* Current directory entry */ + WIN32_FIND_DATAA find_data; /* Private file data */ + int cached; /* True if data is valid */ + HANDLE search_handle; /* Win32 search handle */ + char patt[MAX_PATH + 3]; /* Initial directory name */ +} DIR; + + +/* Forward declarations */ +static DIR *opendir(const char *dirname); +static struct dirent *readdir(DIR *dirp); +static int closedir(DIR *dirp); +static void rewinddir(DIR* dirp); + + +/* Use the new safe string functions introduced in Visual Studio 2005 */ +#if defined(_MSC_VER) && _MSC_VER >= 1400 +# define DIRENT_STRNCPY(dest,src,size) strncpy_s((dest),(size),(src),_TRUNCATE) +#else +# define DIRENT_STRNCPY(dest,src,size) strncpy((dest),(src),(size)) +#endif + +/* Set errno variable */ +#if defined(_MSC_VER) +#define DIRENT_SET_ERRNO(x) _set_errno (x) +#else +#define DIRENT_SET_ERRNO(x) (errno = (x)) +#endif + + +/***************************************************************************** + * Open directory stream DIRNAME for read and return a pointer to the + * internal working area that is used to retrieve individual directory + * entries. + */ +static DIR *opendir(const char *dirname) +{ + DIR *dirp; + + /* ensure that the resulting search pattern will be a valid file name */ + if (dirname == NULL) { + DIRENT_SET_ERRNO (ENOENT); + return NULL; + } + if (strlen (dirname) + 3 >= MAX_PATH) { + DIRENT_SET_ERRNO (ENAMETOOLONG); + return NULL; + } + + /* construct new DIR structure */ + dirp = (DIR*) malloc (sizeof (struct DIR)); + if (dirp != NULL) { + int error; + + /* + * Convert relative directory name to an absolute one. This + * allows rewinddir() to function correctly when the current working + * directory is changed between opendir() and rewinddir(). + */ + if (GetFullPathNameA (dirname, MAX_PATH, dirp->patt, NULL)) { + char *p; + + /* append the search pattern "\\*\0" to the directory name */ + p = strchr (dirp->patt, '\0'); + if (dirp->patt < p && *(p-1) != '\\' && *(p-1) != ':') { + *p++ = '\\'; + } + *p++ = '*'; + *p = '\0'; + + /* open directory stream and retrieve the first entry */ + dirp->search_handle = FindFirstFileA (dirp->patt, &dirp->find_data); + if (dirp->search_handle != INVALID_HANDLE_VALUE) { + /* a directory entry is now waiting in memory */ + dirp->cached = 1; + error = 0; + } else { + /* search pattern is not a directory name? */ + DIRENT_SET_ERRNO (ENOENT); + error = 1; + } + } else { + /* buffer too small */ + DIRENT_SET_ERRNO (ENOMEM); + error = 1; + } + + if (error) { + free (dirp); + dirp = NULL; + } + } + + return dirp; +} + + +/***************************************************************************** + * Read a directory entry, and return a pointer to a dirent structure + * containing the name of the entry in d_name field. Individual directory + * entries returned by this very function include regular files, + * sub-directories, pseudo-directories "." and "..", but also volume labels, + * hidden files and system files may be returned. + */ +static struct dirent *readdir(DIR *dirp) +{ + DWORD attr; + if (dirp == NULL) { + /* directory stream did not open */ + DIRENT_SET_ERRNO (EBADF); + return NULL; + } + + /* get next directory entry */ + if (dirp->cached != 0) { + /* a valid directory entry already in memory */ + dirp->cached = 0; + } else { + /* get the next directory entry from stream */ + if (dirp->search_handle == INVALID_HANDLE_VALUE) { + return NULL; + } + if (FindNextFileA (dirp->search_handle, &dirp->find_data) == FALSE) { + /* the very last entry has been processed or an error occured */ + FindClose (dirp->search_handle); + dirp->search_handle = INVALID_HANDLE_VALUE; + return NULL; + } + } + + /* copy as a multibyte character string */ + DIRENT_STRNCPY ( dirp->curentry.d_name, + dirp->find_data.cFileName, + sizeof(dirp->curentry.d_name) ); + dirp->curentry.d_name[MAX_PATH] = '\0'; + + /* compute the length of name */ + dirp->curentry.d_namlen = strlen (dirp->curentry.d_name); + + /* determine file type */ + attr = dirp->find_data.dwFileAttributes; + if ((attr & FILE_ATTRIBUTE_DEVICE) != 0) { + dirp->curentry.d_type = DT_CHR; + } else if ((attr & FILE_ATTRIBUTE_DIRECTORY) != 0) { + dirp->curentry.d_type = DT_DIR; + } else { + dirp->curentry.d_type = DT_REG; + } + return &dirp->curentry; +} + + +/***************************************************************************** + * Close directory stream opened by opendir() function. Close of the + * directory stream invalidates the DIR structure as well as any previously + * read directory entry. + */ +static int closedir(DIR *dirp) +{ + if (dirp == NULL) { + /* invalid directory stream */ + DIRENT_SET_ERRNO (EBADF); + return -1; + } + + /* release search handle */ + if (dirp->search_handle != INVALID_HANDLE_VALUE) { + FindClose (dirp->search_handle); + dirp->search_handle = INVALID_HANDLE_VALUE; + } + + /* release directory structure */ + free (dirp); + return 0; +} + + +/***************************************************************************** + * Resets the position of the directory stream to which dirp refers to the + * beginning of the directory. It also causes the directory stream to refer + * to the current state of the corresponding directory, as a call to opendir() + * would have done. If dirp does not refer to a directory stream, the effect + * is undefined. + */ +static void rewinddir(DIR* dirp) +{ + if (dirp != NULL) { + /* release search handle */ + if (dirp->search_handle != INVALID_HANDLE_VALUE) { + FindClose (dirp->search_handle); + } + + /* open new search handle and retrieve the first entry */ + dirp->search_handle = FindFirstFileA (dirp->patt, &dirp->find_data); + if (dirp->search_handle != INVALID_HANDLE_VALUE) { + /* a directory entry is now waiting in memory */ + dirp->cached = 1; + } else { + /* failed to re-open directory: no directory entry in memory */ + dirp->cached = 0; + } + } +} + + +#ifdef __cplusplus +} +#endif +#endif /*DIRENT_H*/ diff --git a/src/WINDOWS/extra/erf.h b/src/WINDOWS/extra/erf.h new file mode 100644 index 0000000000000000000000000000000000000000..0e7b0549a9db872bfa5d17b44c710c3388e45122 --- /dev/null +++ b/src/WINDOWS/extra/erf.h @@ -0,0 +1,19 @@ +# ifndef ERF_H +# define ERF_H + +# ifdef _WIN32 + +# ifdef __cplusplus +extern "C" { +# endif + +double erf(double x); +double erfc(double x); + +# ifdef __cplusplus +} +# endif + +# endif + +# endif diff --git a/src/WINDOWS/extra/erf_namd.c b/src/WINDOWS/extra/erf_namd.c new file mode 100644 index 0000000000000000000000000000000000000000..50e81733df5d38f4b45f8baa4350f3536a2cefdf --- /dev/null +++ b/src/WINDOWS/extra/erf_namd.c @@ -0,0 +1,345 @@ +/* + * Copied from OpenBSD project (src/lib/libm/src/s_erf.c) + * Specialized for 32-bit little endian architectures. + */ + +/* + * ==================================================== + * Copyright (C) 1993 by Sun Microsystems, Inc. All rights reserved. + * + * Developed at SunPro, a Sun Microsystems, Inc. business. + * Permission to use, copy, modify, and distribute this + * software is freely granted, provided that this notice + * is preserved. + * ==================================================== + */ + +/* double erf(double x) + * double erfc(double x) + * x + * 2 |\ + * erf(x) = --------- | exp(-t*t)dt + * sqrt(pi) \| + * 0 + * + * erfc(x) = 1-erf(x) + * Note that + * erf(-x) = -erf(x) + * erfc(-x) = 2 - erfc(x) + * + * Method: + * 1. For |x| in [0, 0.84375] + * erf(x) = x + x*R(x^2) + * erfc(x) = 1 - erf(x) if x in [-.84375,0.25] + * = 0.5 + ((0.5-x)-x*R) if x in [0.25,0.84375] + * where R = P/Q where P is an odd poly of degree 8 and + * Q is an odd poly of degree 10. + * -57.90 + * | R - (erf(x)-x)/x | <= 2 + * + * + * Remark. The formula is derived by noting + * erf(x) = (2/sqrt(pi))*(x - x^3/3 + x^5/10 - x^7/42 + ....) + * and that + * 2/sqrt(pi) = 1.128379167095512573896158903121545171688 + * is close to one. The interval is chosen because the fix + * point of erf(x) is near 0.6174 (i.e., erf(x)=x when x is + * near 0.6174), and by some experiment, 0.84375 is chosen to + * guarantee the error is less than one ulp for erf. + * + * 2. For |x| in [0.84375,1.25], let s = |x| - 1, and + * c = 0.84506291151 rounded to single (24 bits) + * erf(x) = sign(x) * (c + P1(s)/Q1(s)) + * erfc(x) = (1-c) - P1(s)/Q1(s) if x > 0 + * 1+(c+P1(s)/Q1(s)) if x < 0 + * |P1/Q1 - (erf(|x|)-c)| <= 2**-59.06 + * Remark: here we use the taylor series expansion at x=1. + * erf(1+s) = erf(1) + s*Poly(s) + * = 0.845.. + P1(s)/Q1(s) + * That is, we use rational approximation to approximate + * erf(1+s) - (c = (single)0.84506291151) + * Note that |P1/Q1|< 0.078 for x in [0.84375,1.25] + * where + * P1(s) = degree 6 poly in s + * Q1(s) = degree 6 poly in s + * + * 3. For x in [1.25,1/0.35(~2.857143)], + * erfc(x) = (1/x)*exp(-x*x-0.5625+R1/S1) + * erf(x) = 1 - erfc(x) + * where + * R1(z) = degree 7 poly in z, (z=1/x^2) + * S1(z) = degree 8 poly in z + * + * 4. For x in [1/0.35,28] + * erfc(x) = (1/x)*exp(-x*x-0.5625+R2/S2) if x > 0 + * = 2.0 - (1/x)*exp(-x*x-0.5625+R2/S2) if -6<x<0 + * = 2.0 - tiny (if x <= -6) + * erf(x) = sign(x)*(1.0 - erfc(x)) if x < 6, else + * erf(x) = sign(x)*(1.0 - tiny) + * where + * R2(z) = degree 6 poly in z, (z=1/x^2) + * S2(z) = degree 7 poly in z + * + * Note1: + * To compute exp(-x*x-0.5625+R/S), let s be a single + * precision number and s := x; then + * -x*x = -s*s + (s-x)*(s+x) + * exp(-x*x-0.5626+R/S) = + * exp(-s*s-0.5625)*exp((s-x)*(s+x)+R/S); + * Note2: + * Here 4 and 5 make use of the asymptotic series + * exp(-x*x) + * erfc(x) ~ ---------- * ( 1 + Poly(1/x^2) ) + * x*sqrt(pi) + * We use rational approximation to approximate + * g(s)=f(1/x^2) = log(erfc(x)*x) - x*x + 0.5625 + * Here is the error bound for R1/S1 and R2/S2 + * |R1/S1 - f(x)| < 2**(-62.57) + * |R2/S2 - f(x)| < 2**(-61.52) + * + * 5. For inf > x >= 28 + * erf(x) = sign(x) *(1 - tiny) (raise inexact) + * erfc(x) = tiny*tiny (raise underflow) if x > 0 + * = 2 - tiny if x<0 + * + * 7. Special case: + * erf(0) = 0, erf(inf) = 1, erf(-inf) = -1, + * erfc(0) = 1, erfc(inf) = 0, erfc(-inf) = 2, + * erfc/erf(NaN) is NaN + */ + +#include <math.h> + +//extern "C" { + +/* assume 32 bit int */ + +typedef int int32_t; +typedef unsigned int u_int32_t; + +/* assume little endian */ +typedef union +{ + double value; + struct + { + u_int32_t lsw; + u_int32_t msw; + } parts; +} ieee_double_shape_type; + + +/* Get the more significant 32 bit int from a double. */ + +#define GET_HIGH_WORD(i,d) \ +do { \ + ieee_double_shape_type gh_u; \ + gh_u.value = (d); \ + (i) = gh_u.parts.msw; \ +} while (0) + + +/* Set the less significant 32 bits of a double from an int. */ + +#define SET_LOW_WORD(d,v) \ +do { \ + ieee_double_shape_type sl_u; \ + sl_u.value = (d); \ + sl_u.parts.lsw = (v); \ + (d) = sl_u.value; \ +} while (0) + + +/* Eliminate reference to internal OpenBSD call */ + +#define __ieee754_exp(X) exp(X) + + +static const double +tiny = 1e-300, +half= 5.00000000000000000000e-01, /* 0x3FE00000, 0x00000000 */ +one = 1.00000000000000000000e+00, /* 0x3FF00000, 0x00000000 */ +two = 2.00000000000000000000e+00, /* 0x40000000, 0x00000000 */ + /* c = (float)0.84506291151 */ +erx = 8.45062911510467529297e-01, /* 0x3FEB0AC1, 0x60000000 */ +/* + * Coefficients for approximation to erf on [0,0.84375] + */ +efx = 1.28379167095512586316e-01, /* 0x3FC06EBA, 0x8214DB69 */ +efx8= 1.02703333676410069053e+00, /* 0x3FF06EBA, 0x8214DB69 */ +pp0 = 1.28379167095512558561e-01, /* 0x3FC06EBA, 0x8214DB68 */ +pp1 = -3.25042107247001499370e-01, /* 0xBFD4CD7D, 0x691CB913 */ +pp2 = -2.84817495755985104766e-02, /* 0xBF9D2A51, 0xDBD7194F */ +pp3 = -5.77027029648944159157e-03, /* 0xBF77A291, 0x236668E4 */ +pp4 = -2.37630166566501626084e-05, /* 0xBEF8EAD6, 0x120016AC */ +qq1 = 3.97917223959155352819e-01, /* 0x3FD97779, 0xCDDADC09 */ +qq2 = 6.50222499887672944485e-02, /* 0x3FB0A54C, 0x5536CEBA */ +qq3 = 5.08130628187576562776e-03, /* 0x3F74D022, 0xC4D36B0F */ +qq4 = 1.32494738004321644526e-04, /* 0x3F215DC9, 0x221C1A10 */ +qq5 = -3.96022827877536812320e-06, /* 0xBED09C43, 0x42A26120 */ +/* + * Coefficients for approximation to erf in [0.84375,1.25] + */ +pa0 = -2.36211856075265944077e-03, /* 0xBF6359B8, 0xBEF77538 */ +pa1 = 4.14856118683748331666e-01, /* 0x3FDA8D00, 0xAD92B34D */ +pa2 = -3.72207876035701323847e-01, /* 0xBFD7D240, 0xFBB8C3F1 */ +pa3 = 3.18346619901161753674e-01, /* 0x3FD45FCA, 0x805120E4 */ +pa4 = -1.10894694282396677476e-01, /* 0xBFBC6398, 0x3D3E28EC */ +pa5 = 3.54783043256182359371e-02, /* 0x3FA22A36, 0x599795EB */ +pa6 = -2.16637559486879084300e-03, /* 0xBF61BF38, 0x0A96073F */ +qa1 = 1.06420880400844228286e-01, /* 0x3FBB3E66, 0x18EEE323 */ +qa2 = 5.40397917702171048937e-01, /* 0x3FE14AF0, 0x92EB6F33 */ +qa3 = 7.18286544141962662868e-02, /* 0x3FB2635C, 0xD99FE9A7 */ +qa4 = 1.26171219808761642112e-01, /* 0x3FC02660, 0xE763351F */ +qa5 = 1.36370839120290507362e-02, /* 0x3F8BEDC2, 0x6B51DD1C */ +qa6 = 1.19844998467991074170e-02, /* 0x3F888B54, 0x5735151D */ +/* + * Coefficients for approximation to erfc in [1.25,1/0.35] + */ +ra0 = -9.86494403484714822705e-03, /* 0xBF843412, 0x600D6435 */ +ra1 = -6.93858572707181764372e-01, /* 0xBFE63416, 0xE4BA7360 */ +ra2 = -1.05586262253232909814e+01, /* 0xC0251E04, 0x41B0E726 */ +ra3 = -6.23753324503260060396e+01, /* 0xC04F300A, 0xE4CBA38D */ +ra4 = -1.62396669462573470355e+02, /* 0xC0644CB1, 0x84282266 */ +ra5 = -1.84605092906711035994e+02, /* 0xC067135C, 0xEBCCABB2 */ +ra6 = -8.12874355063065934246e+01, /* 0xC0545265, 0x57E4D2F2 */ +ra7 = -9.81432934416914548592e+00, /* 0xC023A0EF, 0xC69AC25C */ +sa1 = 1.96512716674392571292e+01, /* 0x4033A6B9, 0xBD707687 */ +sa2 = 1.37657754143519042600e+02, /* 0x4061350C, 0x526AE721 */ +sa3 = 4.34565877475229228821e+02, /* 0x407B290D, 0xD58A1A71 */ +sa4 = 6.45387271733267880336e+02, /* 0x40842B19, 0x21EC2868 */ +sa5 = 4.29008140027567833386e+02, /* 0x407AD021, 0x57700314 */ +sa6 = 1.08635005541779435134e+02, /* 0x405B28A3, 0xEE48AE2C */ +sa7 = 6.57024977031928170135e+00, /* 0x401A47EF, 0x8E484A93 */ +sa8 = -6.04244152148580987438e-02, /* 0xBFAEEFF2, 0xEE749A62 */ +/* + * Coefficients for approximation to erfc in [1/.35,28] + */ +rb0 = -9.86494292470009928597e-03, /* 0xBF843412, 0x39E86F4A */ +rb1 = -7.99283237680523006574e-01, /* 0xBFE993BA, 0x70C285DE */ +rb2 = -1.77579549177547519889e+01, /* 0xC031C209, 0x555F995A */ +rb3 = -1.60636384855821916062e+02, /* 0xC064145D, 0x43C5ED98 */ +rb4 = -6.37566443368389627722e+02, /* 0xC083EC88, 0x1375F228 */ +rb5 = -1.02509513161107724954e+03, /* 0xC0900461, 0x6A2E5992 */ +rb6 = -4.83519191608651397019e+02, /* 0xC07E384E, 0x9BDC383F */ +sb1 = 3.03380607434824582924e+01, /* 0x403E568B, 0x261D5190 */ +sb2 = 3.25792512996573918826e+02, /* 0x40745CAE, 0x221B9F0A */ +sb3 = 1.53672958608443695994e+03, /* 0x409802EB, 0x189D5118 */ +sb4 = 3.19985821950859553908e+03, /* 0x40A8FFB7, 0x688C246A */ +sb5 = 2.55305040643316442583e+03, /* 0x40A3F219, 0xCEDF3BE6 */ +sb6 = 4.74528541206955367215e+02, /* 0x407DA874, 0xE79FE763 */ +sb7 = -2.24409524465858183362e+01; /* 0xC03670E2, 0x42712D62 */ + + double erf(double x) +{ + int32_t hx,ix,i; + double R,S,P,Q,s,y,z,r; + GET_HIGH_WORD(hx,x); + ix = hx&0x7fffffff; + if(ix>=0x7ff00000) { /* erf(nan)=nan */ + i = ((u_int32_t)hx>>31)<<1; + return (double)(1-i)+one/x; /* erf(+-inf)=+-1 */ + } + + if(ix < 0x3feb0000) { /* |x|<0.84375 */ + if(ix < 0x3e300000) { /* |x|<2**-28 */ + if (ix < 0x00800000) + return 0.125*(8.0*x+efx8*x); /*avoid underflow */ + return x + efx*x; + } + z = x*x; + r = pp0+z*(pp1+z*(pp2+z*(pp3+z*pp4))); + s = one+z*(qq1+z*(qq2+z*(qq3+z*(qq4+z*qq5)))); + y = r/s; + return x + x*y; + } + if(ix < 0x3ff40000) { /* 0.84375 <= |x| < 1.25 */ + s = fabs(x)-one; + P = pa0+s*(pa1+s*(pa2+s*(pa3+s*(pa4+s*(pa5+s*pa6))))); + Q = one+s*(qa1+s*(qa2+s*(qa3+s*(qa4+s*(qa5+s*qa6))))); + if(hx>=0) return erx + P/Q; else return -erx - P/Q; + } + if (ix >= 0x40180000) { /* inf>|x|>=6 */ + if(hx>=0) return one-tiny; else return tiny-one; + } + x = fabs(x); + s = one/(x*x); + if(ix< 0x4006DB6E) { /* |x| < 1/0.35 */ + R=ra0+s*(ra1+s*(ra2+s*(ra3+s*(ra4+s*( + ra5+s*(ra6+s*ra7)))))); + S=one+s*(sa1+s*(sa2+s*(sa3+s*(sa4+s*( + sa5+s*(sa6+s*(sa7+s*sa8))))))); + } else { /* |x| >= 1/0.35 */ + R=rb0+s*(rb1+s*(rb2+s*(rb3+s*(rb4+s*( + rb5+s*rb6))))); + S=one+s*(sb1+s*(sb2+s*(sb3+s*(sb4+s*( + sb5+s*(sb6+s*sb7)))))); + } + z = x; + SET_LOW_WORD(z,0); + r = __ieee754_exp(-z*z-0.5625)*__ieee754_exp((z-x)*(z+x)+R/S); + if(hx>=0) return one-r/x; else return r/x-one; +} + + double erfc(double x) +{ + int32_t hx,ix; + double R,S,P,Q,s,y,z,r; + GET_HIGH_WORD(hx,x); + ix = hx&0x7fffffff; + if(ix>=0x7ff00000) { /* erfc(nan)=nan */ + /* erfc(+-inf)=0,2 */ + return (double)(((u_int32_t)hx>>31)<<1)+one/x; + } + + if(ix < 0x3feb0000) { /* |x|<0.84375 */ + if(ix < 0x3c700000) /* |x|<2**-56 */ + return one-x; + z = x*x; + r = pp0+z*(pp1+z*(pp2+z*(pp3+z*pp4))); + s = one+z*(qq1+z*(qq2+z*(qq3+z*(qq4+z*qq5)))); + y = r/s; + if(hx < 0x3fd00000) { /* x<1/4 */ + return one-(x+x*y); + } else { + r = x*y; + r += (x-half); + return half - r ; + } + } + if(ix < 0x3ff40000) { /* 0.84375 <= |x| < 1.25 */ + s = fabs(x)-one; + P = pa0+s*(pa1+s*(pa2+s*(pa3+s*(pa4+s*(pa5+s*pa6))))); + Q = one+s*(qa1+s*(qa2+s*(qa3+s*(qa4+s*(qa5+s*qa6))))); + if(hx>=0) { + z = one-erx; return z - P/Q; + } else { + z = erx+P/Q; return one+z; + } + } + if (ix < 0x403c0000) { /* |x|<28 */ + x = fabs(x); + s = one/(x*x); + if(ix< 0x4006DB6D) { /* |x| < 1/.35 ~ 2.857143*/ + R=ra0+s*(ra1+s*(ra2+s*(ra3+s*(ra4+s*( + ra5+s*(ra6+s*ra7)))))); + S=one+s*(sa1+s*(sa2+s*(sa3+s*(sa4+s*( + sa5+s*(sa6+s*(sa7+s*sa8))))))); + } else { /* |x| >= 1/.35 ~ 2.857143 */ + if(hx<0&&ix>=0x40180000) return two-tiny;/* x < -6 */ + R=rb0+s*(rb1+s*(rb2+s*(rb3+s*(rb4+s*( + rb5+s*rb6))))); + S=one+s*(sb1+s*(sb2+s*(sb3+s*(sb4+s*( + sb5+s*(sb6+s*sb7)))))); + } + z = x; + SET_LOW_WORD(z,0); + r = __ieee754_exp(-z*z-0.5625)* + __ieee754_exp((z-x)*(z+x)+R/S); + if(hx>0) return r/x; else return two-r/x; + } else { + if(hx>0) return tiny*tiny; else return two-tiny; + } +} + +//} diff --git a/src/WINDOWS/extra/fftw2/FFTW2dll.dll b/src/WINDOWS/extra/fftw2/FFTW2dll.dll new file mode 100644 index 0000000000000000000000000000000000000000..1b4755e8cb8a170239be78f1c1835f21137b04da Binary files /dev/null and b/src/WINDOWS/extra/fftw2/FFTW2dll.dll differ diff --git a/src/WINDOWS/extra/fftw2/FFTW2dll.lib b/src/WINDOWS/extra/fftw2/FFTW2dll.lib new file mode 100644 index 0000000000000000000000000000000000000000..d494b6d3427b3302b47f2d04fbdb367210b65136 Binary files /dev/null and b/src/WINDOWS/extra/fftw2/FFTW2dll.lib differ diff --git a/src/WINDOWS/extra/fftw2/FFTW2st.lib b/src/WINDOWS/extra/fftw2/FFTW2st.lib new file mode 100644 index 0000000000000000000000000000000000000000..8193ba9754b09cf2d409dd7f3b5f2bfff26e20ea Binary files /dev/null and b/src/WINDOWS/extra/fftw2/FFTW2st.lib differ diff --git a/src/WINDOWS/extra/fftw2/RFFTW2dll.dll b/src/WINDOWS/extra/fftw2/RFFTW2dll.dll new file mode 100644 index 0000000000000000000000000000000000000000..c1f5652a67283b930feaa6120725dc9dcebb9228 Binary files /dev/null and b/src/WINDOWS/extra/fftw2/RFFTW2dll.dll differ diff --git a/src/WINDOWS/extra/fftw2/RFFTW2dll.lib b/src/WINDOWS/extra/fftw2/RFFTW2dll.lib new file mode 100644 index 0000000000000000000000000000000000000000..ce0acda6f8229bb105a5edcb783cb4598ca4f169 Binary files /dev/null and b/src/WINDOWS/extra/fftw2/RFFTW2dll.lib differ diff --git a/src/WINDOWS/extra/fftw2/RFFTW2st.lib b/src/WINDOWS/extra/fftw2/RFFTW2st.lib new file mode 100644 index 0000000000000000000000000000000000000000..b9d6eddb042f62ff14fe2447591a879509a3c239 Binary files /dev/null and b/src/WINDOWS/extra/fftw2/RFFTW2st.lib differ diff --git a/src/WINDOWS/extra/fftw2/fftw.h b/src/WINDOWS/extra/fftw2/fftw.h new file mode 100644 index 0000000000000000000000000000000000000000..75039c7781dbc96310d51e41a75e73aa28e98e78 --- /dev/null +++ b/src/WINDOWS/extra/fftw2/fftw.h @@ -0,0 +1,421 @@ +/* -*- C -*- */ +/* + * Copyright (c) 1997-1999, 2003 Massachusetts Institute of Technology + * + * This program is free software; you can redistribute it and/or modify + * it under the terms of the GNU General Public License as published by + * the Free Software Foundation; either version 2 of the License, or + * (at your option) any later version. + * + * 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 License for more details. + * + * You should have received a copy of the GNU General Public License + * along with this program; if not, write to the Free Software + * Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA + * + */ + +/* fftw.h -- system-wide definitions */ +/* $Id: fftw.h,v 1.1 2011/06/10 17:15:07 morozov Exp $ */ + +#ifndef FFTW_H +#define FFTW_H + +#include <stdlib.h> +#include <stdio.h> + +#ifdef __cplusplus +extern "C" { +#endif /* __cplusplus */ + +/* Define for using single precision */ +/* + * If you can, use configure --enable-float instead of changing this + * flag directly + */ +/* #undef FFTW_ENABLE_FLOAT */ + +/* our real numbers */ +#ifdef FFTW_ENABLE_FLOAT +typedef float fftw_real; +#else +typedef double fftw_real; +#endif + +/********************************************* + * Complex numbers and operations + *********************************************/ +typedef struct { + fftw_real re, im; +} fftw_complex; +#define c_re(c) ((c).re) +#define c_im(c) ((c).im) + +typedef enum { + FFTW_FORWARD = -1, FFTW_BACKWARD = 1 +} fftw_direction; + +/* backward compatibility with FFTW-1.3 */ +typedef fftw_complex FFTW_COMPLEX; +typedef fftw_real FFTW_REAL; + +#ifndef FFTW_1_0_COMPATIBILITY +#define FFTW_1_0_COMPATIBILITY 0 +#endif + +#if FFTW_1_0_COMPATIBILITY +/* backward compatibility with FFTW-1.0 */ +#define REAL fftw_real +#define COMPLEX fftw_complex +#endif + +/********************************************* + * Success or failure status + *********************************************/ + +typedef enum { + FFTW_SUCCESS = 0, FFTW_FAILURE = -1 +} fftw_status; + +/********************************************* + * Codelets + *********************************************/ +typedef void (fftw_notw_codelet) + (const fftw_complex *, fftw_complex *, int, int); +typedef void (fftw_twiddle_codelet) + (fftw_complex *, const fftw_complex *, int, + int, int); +typedef void (fftw_generic_codelet) + (fftw_complex *, const fftw_complex *, int, + int, int, int); +typedef void (fftw_real2hc_codelet) + (const fftw_real *, fftw_real *, fftw_real *, + int, int, int); +typedef void (fftw_hc2real_codelet) + (const fftw_real *, const fftw_real *, + fftw_real *, int, int, int); +typedef void (fftw_hc2hc_codelet) + (fftw_real *, const fftw_complex *, + int, int, int); +typedef void (fftw_rgeneric_codelet) + (fftw_real *, const fftw_complex *, int, + int, int, int); + +/********************************************* + * Configurations + *********************************************/ +/* + * A configuration is a database of all known codelets + */ + +enum fftw_node_type { + FFTW_NOTW, FFTW_TWIDDLE, FFTW_GENERIC, FFTW_RADER, + FFTW_REAL2HC, FFTW_HC2REAL, FFTW_HC2HC, FFTW_RGENERIC +}; + +/* description of a codelet */ +typedef struct { + const char *name; /* name of the codelet */ + void (*codelet) (); /* pointer to the codelet itself */ + int size; /* size of the codelet */ + fftw_direction dir; /* direction */ + enum fftw_node_type type; /* TWIDDLE or NO_TWIDDLE */ + int signature; /* unique id */ + int ntwiddle; /* number of twiddle factors */ + const int *twiddle_order; /* + * array that determines the order + * in which the codelet expects + * the twiddle factors + */ +} fftw_codelet_desc; + +/* On Win32, you need to do funny things to access global variables + in shared libraries. Thanks to Andrew Sterian for this hack. */ +#ifdef HAVE_WIN32 +# if defined(BUILD_FFTW_DLL) +# define DL_IMPORT(type) __declspec(dllexport) type +# elif defined(USE_FFTW_DLL) +# define DL_IMPORT(type) __declspec(dllimport) type +# else +# define DL_IMPORT(type) type +# endif +#else +# define DL_IMPORT(type) type +#endif + +extern DL_IMPORT(const char *) fftw_version; + +/***************************** + * Plans + *****************************/ +/* + * A plan is a sequence of reductions to compute a FFT of + * a given size. At each step, the FFT algorithm can: + * + * 1) apply a notw codelet, or + * 2) recurse and apply a twiddle codelet, or + * 3) apply the generic codelet. + */ + +/* structure that contains twiddle factors */ +typedef struct fftw_twiddle_struct { + int n; + const fftw_codelet_desc *cdesc; + fftw_complex *twarray; + struct fftw_twiddle_struct *next; + int refcnt; +} fftw_twiddle; + +typedef struct fftw_rader_data_struct { + struct fftw_plan_struct *plan; + fftw_complex *omega; + int g, ginv; + int p, flags, refcount; + struct fftw_rader_data_struct *next; + fftw_codelet_desc *cdesc; +} fftw_rader_data; + +typedef void (fftw_rader_codelet) + (fftw_complex *, const fftw_complex *, int, + int, int, fftw_rader_data *); + +/* structure that holds all the data needed for a given step */ +typedef struct fftw_plan_node_struct { + enum fftw_node_type type; + + union { + /* nodes of type FFTW_NOTW */ + struct { + int size; + fftw_notw_codelet *codelet; + const fftw_codelet_desc *codelet_desc; + } notw; + + /* nodes of type FFTW_TWIDDLE */ + struct { + int size; + fftw_twiddle_codelet *codelet; + fftw_twiddle *tw; + struct fftw_plan_node_struct *recurse; + const fftw_codelet_desc *codelet_desc; + } twiddle; + + /* nodes of type FFTW_GENERIC */ + struct { + int size; + fftw_generic_codelet *codelet; + fftw_twiddle *tw; + struct fftw_plan_node_struct *recurse; + } generic; + + /* nodes of type FFTW_RADER */ + struct { + int size; + fftw_rader_codelet *codelet; + fftw_rader_data *rader_data; + fftw_twiddle *tw; + struct fftw_plan_node_struct *recurse; + } rader; + + /* nodes of type FFTW_REAL2HC */ + struct { + int size; + fftw_real2hc_codelet *codelet; + const fftw_codelet_desc *codelet_desc; + } real2hc; + + /* nodes of type FFTW_HC2REAL */ + struct { + int size; + fftw_hc2real_codelet *codelet; + const fftw_codelet_desc *codelet_desc; + } hc2real; + + /* nodes of type FFTW_HC2HC */ + struct { + int size; + fftw_direction dir; + fftw_hc2hc_codelet *codelet; + fftw_twiddle *tw; + struct fftw_plan_node_struct *recurse; + const fftw_codelet_desc *codelet_desc; + } hc2hc; + + /* nodes of type FFTW_RGENERIC */ + struct { + int size; + fftw_direction dir; + fftw_rgeneric_codelet *codelet; + fftw_twiddle *tw; + struct fftw_plan_node_struct *recurse; + } rgeneric; + } nodeu; + + int refcnt; +} fftw_plan_node; + +typedef enum { + FFTW_NORMAL_RECURSE = 0, + FFTW_VECTOR_RECURSE = 1 +} fftw_recurse_kind; + +struct fftw_plan_struct { + int n; + int refcnt; + fftw_direction dir; + int flags; + int wisdom_signature; + enum fftw_node_type wisdom_type; + struct fftw_plan_struct *next; + fftw_plan_node *root; + double cost; + fftw_recurse_kind recurse_kind; + int vector_size; +}; + +typedef struct fftw_plan_struct *fftw_plan; + +/* flags for the planner */ +#define FFTW_ESTIMATE (0) +#define FFTW_MEASURE (1) + +#define FFTW_OUT_OF_PLACE (0) +#define FFTW_IN_PLACE (8) +#define FFTW_USE_WISDOM (16) + +#define FFTW_THREADSAFE (128) /* guarantee plan is read-only so that the + same plan can be used in parallel by + multiple threads */ + +#define FFTWND_FORCE_BUFFERED (256) /* internal flag, forces buffering + in fftwnd transforms */ + +#define FFTW_NO_VECTOR_RECURSE (512) /* internal flag, prevents use + of vector recursion */ + +extern fftw_plan fftw_create_plan_specific(int n, fftw_direction dir, + int flags, + fftw_complex *in, int istride, + fftw_complex *out, int ostride); +#define FFTW_HAS_PLAN_SPECIFIC +extern fftw_plan fftw_create_plan(int n, fftw_direction dir, int flags); +extern void fftw_print_plan(fftw_plan plan); +extern void fftw_destroy_plan(fftw_plan plan); +extern void fftw(fftw_plan plan, int howmany, fftw_complex *in, int istride, + int idist, fftw_complex *out, int ostride, int odist); +extern void fftw_one(fftw_plan plan, fftw_complex *in, fftw_complex *out); +extern void fftw_die(const char *s); +extern void *fftw_malloc(size_t n); +extern void fftw_free(void *p); +extern void fftw_check_memory_leaks(void); +extern void fftw_print_max_memory_usage(void); + +typedef void *(*fftw_malloc_type_function) (size_t n); +typedef void (*fftw_free_type_function) (void *p); +typedef void (*fftw_die_type_function) (const char *errString); +extern DL_IMPORT(fftw_malloc_type_function) fftw_malloc_hook; +extern DL_IMPORT(fftw_free_type_function) fftw_free_hook; +extern DL_IMPORT(fftw_die_type_function) fftw_die_hook; + +extern size_t fftw_sizeof_fftw_real(void); + +/* Wisdom: */ +/* + * define this symbol so that users know we are using a version of FFTW + * with wisdom + */ +#define FFTW_HAS_WISDOM +extern void fftw_forget_wisdom(void); +extern void fftw_export_wisdom(void (*emitter) (char c, void *), void *data); +extern fftw_status fftw_import_wisdom(int (*g) (void *), void *data); +extern void fftw_export_wisdom_to_file(FILE *output_file); +extern fftw_status fftw_import_wisdom_from_file(FILE *input_file); +extern char *fftw_export_wisdom_to_string(void); +extern fftw_status fftw_import_wisdom_from_string(const char *input_string); + +/* + * define symbol so we know this function is available (it is not in + * older FFTWs) + */ +#define FFTW_HAS_FPRINT_PLAN +extern void fftw_fprint_plan(FILE *f, fftw_plan plan); + +/***************************** + * N-dimensional code + *****************************/ +typedef struct { + int is_in_place; /* 1 if for in-place FFTs, 0 otherwise */ + + int rank; /* + * the rank (number of dimensions) of the + * array to be FFTed + */ + int *n; /* + * the dimensions of the array to the + * FFTed + */ + fftw_direction dir; + + int *n_before; /* + * n_before[i] = product of n[j] for j < i + */ + int *n_after; /* n_after[i] = product of n[j] for j > i */ + + fftw_plan *plans; /* 1d fftw plans for each dimension */ + + int nbuffers, nwork; + fftw_complex *work; /* + * work array big enough to hold + * nbuffers+1 of the largest dimension + * (has nwork elements) + */ +} fftwnd_data; + +typedef fftwnd_data *fftwnd_plan; + +/* Initializing the FFTWND plan: */ +extern fftwnd_plan fftw2d_create_plan(int nx, int ny, fftw_direction dir, + int flags); +extern fftwnd_plan fftw3d_create_plan(int nx, int ny, int nz, + fftw_direction dir, int flags); +extern fftwnd_plan fftwnd_create_plan(int rank, const int *n, + fftw_direction dir, + int flags); + +extern fftwnd_plan fftw2d_create_plan_specific(int nx, int ny, + fftw_direction dir, + int flags, + fftw_complex *in, int istride, + fftw_complex *out, int ostride); +extern fftwnd_plan fftw3d_create_plan_specific(int nx, int ny, int nz, + fftw_direction dir, int flags, + fftw_complex *in, int istride, + fftw_complex *out, int ostride); +extern fftwnd_plan fftwnd_create_plan_specific(int rank, const int *n, + fftw_direction dir, + int flags, + fftw_complex *in, int istride, + fftw_complex *out, int ostride); + +/* Freeing the FFTWND plan: */ +extern void fftwnd_destroy_plan(fftwnd_plan plan); + +/* Printing the plan: */ +extern void fftwnd_fprint_plan(FILE *f, fftwnd_plan p); +extern void fftwnd_print_plan(fftwnd_plan p); +#define FFTWND_HAS_PRINT_PLAN + +/* Computing the N-Dimensional FFT */ +extern void fftwnd(fftwnd_plan plan, int howmany, + fftw_complex *in, int istride, int idist, + fftw_complex *out, int ostride, int odist); +extern void fftwnd_one(fftwnd_plan p, fftw_complex *in, fftw_complex *out); + +#ifdef __cplusplus +} /* extern "C" */ + +#endif /* __cplusplus */ +#endif /* FFTW_H */ diff --git a/src/WINDOWS/extra/inttypes.h b/src/WINDOWS/extra/inttypes.h new file mode 100644 index 0000000000000000000000000000000000000000..25542771f591c3b2161df8171f18bf7a2b66a530 --- /dev/null +++ b/src/WINDOWS/extra/inttypes.h @@ -0,0 +1,305 @@ +// ISO C9x compliant inttypes.h for Microsoft Visual Studio +// Based on ISO/IEC 9899:TC2 Committee draft (May 6, 2005) WG14/N1124 +// +// Copyright (c) 2006 Alexander Chemeris +// +// Redistribution and use in source and binary forms, with or without +// modification, are permitted provided that the following conditions are met: +// +// 1. Redistributions of source code must retain the above copyright notice, +// this list of conditions and the following disclaimer. +// +// 2. Redistributions in binary form must reproduce the above copyright +// notice, this list of conditions and the following disclaimer in the +// documentation and/or other materials provided with the distribution. +// +// 3. The name of the author may be used to endorse or promote products +// derived from this software without specific prior written permission. +// +// THIS SOFTWARE IS PROVIDED BY THE AUTHOR ``AS IS'' AND ANY EXPRESS OR IMPLIED +// WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF +// MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO +// EVENT SHALL THE AUTHOR BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, +// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, +// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; +// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, +// WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR +// OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF +// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. +// +/////////////////////////////////////////////////////////////////////////////// + +#ifndef _MSC_VER // [ +#error "Use this header only with Microsoft Visual C++ compilers!" +#endif // _MSC_VER ] + +#ifndef _MSC_INTTYPES_H_ // [ +#define _MSC_INTTYPES_H_ + +#if _MSC_VER > 1000 +#pragma once +#endif + +#include "stdint.h" + +// 7.8 Format conversion of integer types + +typedef struct { + intmax_t quot; + intmax_t rem; +} imaxdiv_t; + +// 7.8.1 Macros for format specifiers + +#if !defined(__cplusplus) || defined(__STDC_FORMAT_MACROS) // [ See footnote 185 at page 198 + +// The fprintf macros for signed integers are: +#define PRId8 "d" +#define PRIi8 "i" +#define PRIdLEAST8 "d" +#define PRIiLEAST8 "i" +#define PRIdFAST8 "d" +#define PRIiFAST8 "i" + +#define PRId16 "hd" +#define PRIi16 "hi" +#define PRIdLEAST16 "hd" +#define PRIiLEAST16 "hi" +#define PRIdFAST16 "hd" +#define PRIiFAST16 "hi" + +#define PRId32 "I32d" +#define PRIi32 "I32i" +#define PRIdLEAST32 "I32d" +#define PRIiLEAST32 "I32i" +#define PRIdFAST32 "I32d" +#define PRIiFAST32 "I32i" + +#define PRId64 "I64d" +#define PRIi64 "I64i" +#define PRIdLEAST64 "I64d" +#define PRIiLEAST64 "I64i" +#define PRIdFAST64 "I64d" +#define PRIiFAST64 "I64i" + +#define PRIdMAX "I64d" +#define PRIiMAX "I64i" + +#define PRIdPTR "Id" +#define PRIiPTR "Ii" + +// The fprintf macros for unsigned integers are: +#define PRIo8 "o" +#define PRIu8 "u" +#define PRIx8 "x" +#define PRIX8 "X" +#define PRIoLEAST8 "o" +#define PRIuLEAST8 "u" +#define PRIxLEAST8 "x" +#define PRIXLEAST8 "X" +#define PRIoFAST8 "o" +#define PRIuFAST8 "u" +#define PRIxFAST8 "x" +#define PRIXFAST8 "X" + +#define PRIo16 "ho" +#define PRIu16 "hu" +#define PRIx16 "hx" +#define PRIX16 "hX" +#define PRIoLEAST16 "ho" +#define PRIuLEAST16 "hu" +#define PRIxLEAST16 "hx" +#define PRIXLEAST16 "hX" +#define PRIoFAST16 "ho" +#define PRIuFAST16 "hu" +#define PRIxFAST16 "hx" +#define PRIXFAST16 "hX" + +#define PRIo32 "I32o" +#define PRIu32 "I32u" +#define PRIx32 "I32x" +#define PRIX32 "I32X" +#define PRIoLEAST32 "I32o" +#define PRIuLEAST32 "I32u" +#define PRIxLEAST32 "I32x" +#define PRIXLEAST32 "I32X" +#define PRIoFAST32 "I32o" +#define PRIuFAST32 "I32u" +#define PRIxFAST32 "I32x" +#define PRIXFAST32 "I32X" + +#define PRIo64 "I64o" +#define PRIu64 "I64u" +#define PRIx64 "I64x" +#define PRIX64 "I64X" +#define PRIoLEAST64 "I64o" +#define PRIuLEAST64 "I64u" +#define PRIxLEAST64 "I64x" +#define PRIXLEAST64 "I64X" +#define PRIoFAST64 "I64o" +#define PRIuFAST64 "I64u" +#define PRIxFAST64 "I64x" +#define PRIXFAST64 "I64X" + +#define PRIoMAX "I64o" +#define PRIuMAX "I64u" +#define PRIxMAX "I64x" +#define PRIXMAX "I64X" + +#define PRIoPTR "Io" +#define PRIuPTR "Iu" +#define PRIxPTR "Ix" +#define PRIXPTR "IX" + +// The fscanf macros for signed integers are: +#define SCNd8 "d" +#define SCNi8 "i" +#define SCNdLEAST8 "d" +#define SCNiLEAST8 "i" +#define SCNdFAST8 "d" +#define SCNiFAST8 "i" + +#define SCNd16 "hd" +#define SCNi16 "hi" +#define SCNdLEAST16 "hd" +#define SCNiLEAST16 "hi" +#define SCNdFAST16 "hd" +#define SCNiFAST16 "hi" + +#define SCNd32 "ld" +#define SCNi32 "li" +#define SCNdLEAST32 "ld" +#define SCNiLEAST32 "li" +#define SCNdFAST32 "ld" +#define SCNiFAST32 "li" + +#define SCNd64 "I64d" +#define SCNi64 "I64i" +#define SCNdLEAST64 "I64d" +#define SCNiLEAST64 "I64i" +#define SCNdFAST64 "I64d" +#define SCNiFAST64 "I64i" + +#define SCNdMAX "I64d" +#define SCNiMAX "I64i" + +#ifdef _WIN64 // [ +# define SCNdPTR "I64d" +# define SCNiPTR "I64i" +#else // _WIN64 ][ +# define SCNdPTR "ld" +# define SCNiPTR "li" +#endif // _WIN64 ] + +// The fscanf macros for unsigned integers are: +#define SCNo8 "o" +#define SCNu8 "u" +#define SCNx8 "x" +#define SCNX8 "X" +#define SCNoLEAST8 "o" +#define SCNuLEAST8 "u" +#define SCNxLEAST8 "x" +#define SCNXLEAST8 "X" +#define SCNoFAST8 "o" +#define SCNuFAST8 "u" +#define SCNxFAST8 "x" +#define SCNXFAST8 "X" + +#define SCNo16 "ho" +#define SCNu16 "hu" +#define SCNx16 "hx" +#define SCNX16 "hX" +#define SCNoLEAST16 "ho" +#define SCNuLEAST16 "hu" +#define SCNxLEAST16 "hx" +#define SCNXLEAST16 "hX" +#define SCNoFAST16 "ho" +#define SCNuFAST16 "hu" +#define SCNxFAST16 "hx" +#define SCNXFAST16 "hX" + +#define SCNo32 "lo" +#define SCNu32 "lu" +#define SCNx32 "lx" +#define SCNX32 "lX" +#define SCNoLEAST32 "lo" +#define SCNuLEAST32 "lu" +#define SCNxLEAST32 "lx" +#define SCNXLEAST32 "lX" +#define SCNoFAST32 "lo" +#define SCNuFAST32 "lu" +#define SCNxFAST32 "lx" +#define SCNXFAST32 "lX" + +#define SCNo64 "I64o" +#define SCNu64 "I64u" +#define SCNx64 "I64x" +#define SCNX64 "I64X" +#define SCNoLEAST64 "I64o" +#define SCNuLEAST64 "I64u" +#define SCNxLEAST64 "I64x" +#define SCNXLEAST64 "I64X" +#define SCNoFAST64 "I64o" +#define SCNuFAST64 "I64u" +#define SCNxFAST64 "I64x" +#define SCNXFAST64 "I64X" + +#define SCNoMAX "I64o" +#define SCNuMAX "I64u" +#define SCNxMAX "I64x" +#define SCNXMAX "I64X" + +#ifdef _WIN64 // [ +# define SCNoPTR "I64o" +# define SCNuPTR "I64u" +# define SCNxPTR "I64x" +# define SCNXPTR "I64X" +#else // _WIN64 ][ +# define SCNoPTR "lo" +# define SCNuPTR "lu" +# define SCNxPTR "lx" +# define SCNXPTR "lX" +#endif // _WIN64 ] + +#endif // __STDC_FORMAT_MACROS ] + +// 7.8.2 Functions for greatest-width integer types + +// 7.8.2.1 The imaxabs function +#define imaxabs _abs64 + +// 7.8.2.2 The imaxdiv function + +// This is modified version of div() function from Microsoft's div.c found +// in %MSVC.NET%\crt\src\div.c +#ifdef STATIC_IMAXDIV // [ +static +#else // STATIC_IMAXDIV ][ +_inline +#endif // STATIC_IMAXDIV ] +imaxdiv_t __cdecl imaxdiv(intmax_t numer, intmax_t denom) +{ + imaxdiv_t result; + + result.quot = numer / denom; + result.rem = numer % denom; + + if (numer < 0 && result.rem > 0) { + // did division wrong; must fix up + ++result.quot; + result.rem -= denom; + } + + return result; +} + +// 7.8.2.3 The strtoimax and strtoumax functions +#define strtoimax _strtoi64 +#define strtoumax _strtoui64 + +// 7.8.2.4 The wcstoimax and wcstoumax functions +#define wcstoimax _wcstoi64 +#define wcstoumax _wcstoui64 + + +#endif // _MSC_INTTYPES_H_ ] diff --git a/src/WINDOWS/extra/sleep.cpp b/src/WINDOWS/extra/sleep.cpp new file mode 100644 index 0000000000000000000000000000000000000000..f2a87041ef92f96c0cb063a2c1f57440450b96ca --- /dev/null +++ b/src/WINDOWS/extra/sleep.cpp @@ -0,0 +1,10 @@ +#include "sleep.h" +#include "windows.h" + +void usleep (int x) +{ + int y = x; + y = x/1000; + + Sleep(y); +} diff --git a/src/WINDOWS/extra/sleep.h b/src/WINDOWS/extra/sleep.h new file mode 100644 index 0000000000000000000000000000000000000000..3716fc38630af4dcc4344d7312e8a76354109aa8 --- /dev/null +++ b/src/WINDOWS/extra/sleep.h @@ -0,0 +1 @@ +void usleep(int x); diff --git a/src/WINDOWS/extra/stdint.h b/src/WINDOWS/extra/stdint.h new file mode 100644 index 0000000000000000000000000000000000000000..59d067302fcfe1f5ec82cd7534f89c18167dd895 --- /dev/null +++ b/src/WINDOWS/extra/stdint.h @@ -0,0 +1,247 @@ +// ISO C9x compliant stdint.h for Microsoft Visual Studio +// Based on ISO/IEC 9899:TC2 Committee draft (May 6, 2005) WG14/N1124 +// +// Copyright (c) 2006-2008 Alexander Chemeris +// +// Redistribution and use in source and binary forms, with or without +// modification, are permitted provided that the following conditions are met: +// +// 1. Redistributions of source code must retain the above copyright notice, +// this list of conditions and the following disclaimer. +// +// 2. Redistributions in binary form must reproduce the above copyright +// notice, this list of conditions and the following disclaimer in the +// documentation and/or other materials provided with the distribution. +// +// 3. The name of the author may be used to endorse or promote products +// derived from this software without specific prior written permission. +// +// THIS SOFTWARE IS PROVIDED BY THE AUTHOR ``AS IS'' AND ANY EXPRESS OR IMPLIED +// WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF +// MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO +// EVENT SHALL THE AUTHOR BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, +// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, +// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; +// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, +// WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR +// OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF +// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. +// +/////////////////////////////////////////////////////////////////////////////// + +#ifndef _MSC_VER // [ +#error "Use this header only with Microsoft Visual C++ compilers!" +#endif // _MSC_VER ] + +#ifndef _MSC_STDINT_H_ // [ +#define _MSC_STDINT_H_ + +#if _MSC_VER > 1000 +#pragma once +#endif + +#include <limits.h> + +// For Visual Studio 6 in C++ mode and for many Visual Studio versions when +// compiling for ARM we should wrap <wchar.h> include with 'extern "C++" {}' +// or compiler give many errors like this: +// error C2733: second C linkage of overloaded function 'wmemchr' not allowed +#ifdef __cplusplus +extern "C" { +#endif +# include <wchar.h> +#ifdef __cplusplus +} +#endif + +// Define _W64 macros to mark types changing their size, like intptr_t. +#ifndef _W64 +# if !defined(__midl) && (defined(_X86_) || defined(_M_IX86)) && _MSC_VER >= 1300 +# define _W64 __w64 +# else +# define _W64 +# endif +#endif + + +// 7.18.1 Integer types + +// 7.18.1.1 Exact-width integer types + +// Visual Studio 6 and Embedded Visual C++ 4 doesn't +// realize that, e.g. char has the same size as __int8 +// so we give up on __intX for them. +#if (_MSC_VER < 1300) + typedef signed char int8_t; + typedef signed short int16_t; + typedef signed int int32_t; + typedef unsigned char uint8_t; + typedef unsigned short uint16_t; + typedef unsigned int uint32_t; +#else + typedef signed __int8 int8_t; + typedef signed __int16 int16_t; + typedef signed __int32 int32_t; + typedef unsigned __int8 uint8_t; + typedef unsigned __int16 uint16_t; + typedef unsigned __int32 uint32_t; +#endif +typedef signed __int64 int64_t; +typedef unsigned __int64 uint64_t; + + +// 7.18.1.2 Minimum-width integer types +typedef int8_t int_least8_t; +typedef int16_t int_least16_t; +typedef int32_t int_least32_t; +typedef int64_t int_least64_t; +typedef uint8_t uint_least8_t; +typedef uint16_t uint_least16_t; +typedef uint32_t uint_least32_t; +typedef uint64_t uint_least64_t; + +// 7.18.1.3 Fastest minimum-width integer types +typedef int8_t int_fast8_t; +typedef int16_t int_fast16_t; +typedef int32_t int_fast32_t; +typedef int64_t int_fast64_t; +typedef uint8_t uint_fast8_t; +typedef uint16_t uint_fast16_t; +typedef uint32_t uint_fast32_t; +typedef uint64_t uint_fast64_t; + +// 7.18.1.4 Integer types capable of holding object pointers +#ifdef _WIN64 // [ + typedef signed __int64 intptr_t; + typedef unsigned __int64 uintptr_t; +#else // _WIN64 ][ + typedef _W64 signed int intptr_t; + typedef _W64 unsigned int uintptr_t; +#endif // _WIN64 ] + +// 7.18.1.5 Greatest-width integer types +typedef int64_t intmax_t; +typedef uint64_t uintmax_t; + + +// 7.18.2 Limits of specified-width integer types + +#if !defined(__cplusplus) || defined(__STDC_LIMIT_MACROS) // [ See footnote 220 at page 257 and footnote 221 at page 259 + +// 7.18.2.1 Limits of exact-width integer types +#define INT8_MIN ((int8_t)_I8_MIN) +#define INT8_MAX _I8_MAX +#define INT16_MIN ((int16_t)_I16_MIN) +#define INT16_MAX _I16_MAX +#define INT32_MIN ((int32_t)_I32_MIN) +#define INT32_MAX _I32_MAX +#define INT64_MIN ((int64_t)_I64_MIN) +#define INT64_MAX _I64_MAX +#define UINT8_MAX _UI8_MAX +#define UINT16_MAX _UI16_MAX +#define UINT32_MAX _UI32_MAX +#define UINT64_MAX _UI64_MAX + +// 7.18.2.2 Limits of minimum-width integer types +#define INT_LEAST8_MIN INT8_MIN +#define INT_LEAST8_MAX INT8_MAX +#define INT_LEAST16_MIN INT16_MIN +#define INT_LEAST16_MAX INT16_MAX +#define INT_LEAST32_MIN INT32_MIN +#define INT_LEAST32_MAX INT32_MAX +#define INT_LEAST64_MIN INT64_MIN +#define INT_LEAST64_MAX INT64_MAX +#define UINT_LEAST8_MAX UINT8_MAX +#define UINT_LEAST16_MAX UINT16_MAX +#define UINT_LEAST32_MAX UINT32_MAX +#define UINT_LEAST64_MAX UINT64_MAX + +// 7.18.2.3 Limits of fastest minimum-width integer types +#define INT_FAST8_MIN INT8_MIN +#define INT_FAST8_MAX INT8_MAX +#define INT_FAST16_MIN INT16_MIN +#define INT_FAST16_MAX INT16_MAX +#define INT_FAST32_MIN INT32_MIN +#define INT_FAST32_MAX INT32_MAX +#define INT_FAST64_MIN INT64_MIN +#define INT_FAST64_MAX INT64_MAX +#define UINT_FAST8_MAX UINT8_MAX +#define UINT_FAST16_MAX UINT16_MAX +#define UINT_FAST32_MAX UINT32_MAX +#define UINT_FAST64_MAX UINT64_MAX + +// 7.18.2.4 Limits of integer types capable of holding object pointers +#ifdef _WIN64 // [ +# define INTPTR_MIN INT64_MIN +# define INTPTR_MAX INT64_MAX +# define UINTPTR_MAX UINT64_MAX +#else // _WIN64 ][ +# define INTPTR_MIN INT32_MIN +# define INTPTR_MAX INT32_MAX +# define UINTPTR_MAX UINT32_MAX +#endif // _WIN64 ] + +// 7.18.2.5 Limits of greatest-width integer types +#define INTMAX_MIN INT64_MIN +#define INTMAX_MAX INT64_MAX +#define UINTMAX_MAX UINT64_MAX + +// 7.18.3 Limits of other integer types + +#ifdef _WIN64 // [ +# define PTRDIFF_MIN _I64_MIN +# define PTRDIFF_MAX _I64_MAX +#else // _WIN64 ][ +# define PTRDIFF_MIN _I32_MIN +# define PTRDIFF_MAX _I32_MAX +#endif // _WIN64 ] + +#define SIG_ATOMIC_MIN INT_MIN +#define SIG_ATOMIC_MAX INT_MAX + +#ifndef SIZE_MAX // [ +# ifdef _WIN64 // [ +# define SIZE_MAX _UI64_MAX +# else // _WIN64 ][ +# define SIZE_MAX _UI32_MAX +# endif // _WIN64 ] +#endif // SIZE_MAX ] + +// WCHAR_MIN and WCHAR_MAX are also defined in <wchar.h> +#ifndef WCHAR_MIN // [ +# define WCHAR_MIN 0 +#endif // WCHAR_MIN ] +#ifndef WCHAR_MAX // [ +# define WCHAR_MAX _UI16_MAX +#endif // WCHAR_MAX ] + +#define WINT_MIN 0 +#define WINT_MAX _UI16_MAX + +#endif // __STDC_LIMIT_MACROS ] + + +// 7.18.4 Limits of other integer types + +#if !defined(__cplusplus) || defined(__STDC_CONSTANT_MACROS) // [ See footnote 224 at page 260 + +// 7.18.4.1 Macros for minimum-width integer constants + +#define INT8_C(val) val##i8 +#define INT16_C(val) val##i16 +#define INT32_C(val) val##i32 +#define INT64_C(val) val##i64 + +#define UINT8_C(val) val##ui8 +#define UINT16_C(val) val##ui16 +#define UINT32_C(val) val##ui32 +#define UINT64_C(val) val##ui64 + +// 7.18.4.2 Macros for greatest-width integer constants +#define INTMAX_C INT64_C +#define UINTMAX_C UINT64_C + +#endif // __STDC_CONSTANT_MACROS ] + + +#endif // _MSC_STDINT_H_ ] diff --git a/src/WINDOWS/extra/sys/time.h b/src/WINDOWS/extra/sys/time.h new file mode 100644 index 0000000000000000000000000000000000000000..aa34ab58a45d53f141c949f4973d33ba170dce3e --- /dev/null +++ b/src/WINDOWS/extra/sys/time.h @@ -0,0 +1,28 @@ +#ifndef GETTIMEOFDAY_H +#define GETTIMEOFDAY_H + +//#include <config.h> +#include <sys/timeb.h> +//#include "../include/time.h" + + +struct timeval +{ + time_t tv_sec; + time_t tv_usec; +}; + + +__inline int gettimeofday(struct timeval *tp, void *tzp) +{ + + struct _timeb timebuffer; + + _ftime(&timebuffer); + tp->tv_sec = timebuffer.time; + tp->tv_usec = timebuffer.millitm * 1000; + + return 0; +} + +#endif /* GETTIMEOFDAY_H */ \ No newline at end of file diff --git a/src/WINDOWS/extra/unistd.h b/src/WINDOWS/extra/unistd.h new file mode 100644 index 0000000000000000000000000000000000000000..216ff3206cd2aafda1535f1a44f6f1d418cdd7b0 --- /dev/null +++ b/src/WINDOWS/extra/unistd.h @@ -0,0 +1 @@ +# include <direct.h> \ No newline at end of file diff --git a/src/WINDOWS/settings/style_angle.h b/src/WINDOWS/settings/style_angle.h new file mode 100644 index 0000000000000000000000000000000000000000..07c8902c6d0794bbfc2eea80fd65583665cd4361 --- /dev/null +++ b/src/WINDOWS/settings/style_angle.h @@ -0,0 +1,9 @@ +// File is generaged by ListModules() macro +#include "..\..\MOLECULE\angle_charmm.h" +#include "..\..\MOLECULE\angle_cosine.h" +#include "..\..\MOLECULE\angle_cosine_delta.h" +#include "..\..\MOLECULE\angle_cosine_periodic.h" +#include "..\..\MOLECULE\angle_cosine_squared.h" +#include "..\..\MOLECULE\angle_harmonic.h" +#include "..\..\MOLECULE\angle_hybrid.h" +#include "..\..\MOLECULE\angle_table.h" diff --git a/src/WINDOWS/settings/style_atom.h b/src/WINDOWS/settings/style_atom.h new file mode 100644 index 0000000000000000000000000000000000000000..f7885ac016d30ed92e5923ebcea1b5c4b0d0f6bd --- /dev/null +++ b/src/WINDOWS/settings/style_atom.h @@ -0,0 +1,12 @@ +// File is generaged by ListModules() macro +#include "..\..\atom_vec_atomic.h" +#include "..\..\atom_vec_charge.h" +#include "..\..\atom_vec_ellipsoid.h" +#include "..\..\atom_vec_hybrid.h" +#include "..\..\atom_vec_line.h" +#include "..\..\atom_vec_sphere.h" +#include "..\..\atom_vec_tri.h" +#include "..\..\MOLECULE\atom_vec_angle.h" +#include "..\..\MOLECULE\atom_vec_bond.h" +#include "..\..\MOLECULE\atom_vec_full.h" +#include "..\..\MOLECULE\atom_vec_molecular.h" diff --git a/src/WINDOWS/settings/style_bond.h b/src/WINDOWS/settings/style_bond.h new file mode 100644 index 0000000000000000000000000000000000000000..f10824054e86ddd3f62aaed38d5ad971af910032 --- /dev/null +++ b/src/WINDOWS/settings/style_bond.h @@ -0,0 +1,9 @@ +// File is generaged by ListModules() macro +#include "..\..\bond_hybrid.h" +#include "..\..\MOLECULE\bond_fene.h" +#include "..\..\MOLECULE\bond_fene_expand.h" +#include "..\..\MOLECULE\bond_harmonic.h" +#include "..\..\MOLECULE\bond_morse.h" +#include "..\..\MOLECULE\bond_nonlinear.h" +#include "..\..\MOLECULE\bond_quartic.h" +#include "..\..\MOLECULE\bond_table.h" diff --git a/src/WINDOWS/settings/style_command.h b/src/WINDOWS/settings/style_command.h new file mode 100644 index 0000000000000000000000000000000000000000..b71ef76807de9508806de66937bf77dd18101e47 --- /dev/null +++ b/src/WINDOWS/settings/style_command.h @@ -0,0 +1,16 @@ +// File is generaged by ListModules() macro +#include "..\..\balance.h" +#include "..\..\change_box.h" +#include "..\..\create_atoms.h" +#include "..\..\create_box.h" +#include "..\..\delete_atoms.h" +#include "..\..\delete_bonds.h" +#include "..\..\displace_atoms.h" +#include "..\..\minimize.h" +#include "..\..\read_data.h" +#include "..\..\read_restart.h" +#include "..\..\replicate.h" +#include "..\..\run.h" +#include "..\..\set.h" +#include "..\..\velocity.h" +#include "..\..\write_restart.h" diff --git a/src/WINDOWS/settings/style_compute.h b/src/WINDOWS/settings/style_compute.h new file mode 100644 index 0000000000000000000000000000000000000000..43aa7fccc1e4715f87409a05d5c8417b594df5dd --- /dev/null +++ b/src/WINDOWS/settings/style_compute.h @@ -0,0 +1,44 @@ +// File is generaged by ListModules() macro +#include "..\..\compute_angle_local.h" +#include "..\..\compute_atom_molecule.h" +#include "..\..\compute_bond_local.h" +#include "..\..\compute_centro_atom.h" +#include "..\..\compute_cluster_atom.h" +#include "..\..\compute_cna_atom.h" +#include "..\..\compute_com.h" +#include "..\..\compute_com_molecule.h" +#include "..\..\compute_coord_atom.h" +#include "..\..\compute_dihedral_local.h" +#include "..\..\compute_displace_atom.h" +#include "..\..\compute_erotate_sphere.h" +#include "..\..\compute_group_group.h" +#include "..\..\compute_gyration.h" +#include "..\..\compute_gyration_molecule.h" +#include "..\..\compute_heat_flux.h" +#include "..\..\compute_improper_local.h" +#include "..\..\compute_ke.h" +#include "..\..\compute_ke_atom.h" +#include "..\..\compute_msd.h" +#include "..\..\compute_msd_molecule.h" +#include "..\..\compute_pair.h" +#include "..\..\compute_pair_local.h" +#include "..\..\compute_pe.h" +#include "..\..\compute_pe_atom.h" +#include "..\..\compute_pressure.h" +#include "..\..\compute_property_atom.h" +#include "..\..\compute_property_local.h" +#include "..\..\compute_property_molecule.h" +#include "..\..\compute_rdf.h" +#include "..\..\compute_reduce.h" +#include "..\..\compute_reduce_region.h" +#include "..\..\compute_slice.h" +#include "..\..\compute_stress_atom.h" +#include "..\..\compute_temp.h" +#include "..\..\compute_temp_com.h" +#include "..\..\compute_temp_deform.h" +#include "..\..\compute_temp_partial.h" +#include "..\..\compute_temp_profile.h" +#include "..\..\compute_temp_ramp.h" +#include "..\..\compute_temp_region.h" +#include "..\..\compute_temp_sphere.h" +#include "..\..\compute_ti.h" diff --git a/src/WINDOWS/settings/style_dihedral.h b/src/WINDOWS/settings/style_dihedral.h new file mode 100644 index 0000000000000000000000000000000000000000..b942a21b27efe3e6cf4fa9cee631ea4bc804a055 --- /dev/null +++ b/src/WINDOWS/settings/style_dihedral.h @@ -0,0 +1,7 @@ +// File is generaged by ListModules() macro +#include "..\..\MOLECULE\dihedral_charmm.h" +#include "..\..\MOLECULE\dihedral_harmonic.h" +#include "..\..\MOLECULE\dihedral_helix.h" +#include "..\..\MOLECULE\dihedral_hybrid.h" +#include "..\..\MOLECULE\dihedral_multi_harmonic.h" +#include "..\..\MOLECULE\dihedral_opls.h" diff --git a/src/WINDOWS/settings/style_dump.h b/src/WINDOWS/settings/style_dump.h new file mode 100644 index 0000000000000000000000000000000000000000..6b14f2b48404d0563e1e67835d17a2fe9a69d8ba --- /dev/null +++ b/src/WINDOWS/settings/style_dump.h @@ -0,0 +1,8 @@ +// File is generaged by ListModules() macro +#include "..\..\dump_atom.h" +#include "..\..\dump_cfg.h" +#include "..\..\dump_custom.h" +#include "..\..\dump_dcd.h" +#include "..\..\dump_image.h" +#include "..\..\dump_local.h" +#include "..\..\dump_xyz.h" diff --git a/src/WINDOWS/settings/style_fix.h b/src/WINDOWS/settings/style_fix.h new file mode 100644 index 0000000000000000000000000000000000000000..403f605d0cfac5aef62b2ec73c7adf9c11c0d096 --- /dev/null +++ b/src/WINDOWS/settings/style_fix.h @@ -0,0 +1,69 @@ +// File is generaged by ListModules() macro +#include "..\..\fix_adapt.h" +#include "..\..\fix_addforce.h" +#include "..\..\fix_aveforce.h" +#include "..\..\fix_ave_atom.h" +#include "..\..\fix_ave_correlate.h" +#include "..\..\fix_ave_histo.h" +#include "..\..\fix_ave_spatial.h" +#include "..\..\fix_ave_time.h" +#include "..\..\fix_box_relax.h" +#include "..\..\fix_deform.h" +#include "..\..\fix_deposit.h" +#include "..\..\fix_drag.h" +#include "..\..\fix_dt_reset.h" +#include "..\..\fix_efield.h" +#include "..\..\fix_enforce2d.h" +#include "..\..\fix_evaporate.h" +#include "..\..\fix_external.h" +#include "..\..\fix_gravity.h" +#include "..\..\fix_heat.h" +#include "..\..\fix_indent.h" +#include "..\..\fix_langevin.h" +#include "..\..\fix_lineforce.h" +#include "..\..\fix_minimize.h" +#include "..\..\fix_momentum.h" +#include "..\..\fix_move.h" +#include "..\..\fix_nph.h" +#include "..\..\fix_nph_sphere.h" +#include "..\..\fix_npt.h" +#include "..\..\fix_npt_sphere.h" +#include "..\..\fix_nve.h" +#include "..\..\fix_nve_limit.h" +#include "..\..\fix_nve_noforce.h" +#include "..\..\fix_nve_sphere.h" +#include "..\..\fix_nvt.h" +#include "..\..\fix_nvt_sllod.h" +#include "..\..\fix_nvt_sphere.h" +#include "..\..\fix_orient_fcc.h" +#include "..\..\fix_planeforce.h" +#include "..\..\fix_press_berendsen.h" +#include "..\..\fix_print.h" +#include "..\..\fix_read_restart.h" +#include "..\..\fix_recenter.h" +#include "..\..\fix_respa.h" +#include "..\..\fix_restrain.h" +#include "..\..\fix_rigid.h" +#include "..\..\fix_rigid_nve.h" +#include "..\..\fix_rigid_nvt.h" +#include "..\..\fix_setforce.h" +#include "..\..\fix_shake.h" +#include "..\..\fix_shear_history.h" +#include "..\..\fix_spring.h" +#include "..\..\fix_spring_rg.h" +#include "..\..\fix_spring_self.h" +#include "..\..\fix_store_force.h" +#include "..\..\fix_store_state.h" +#include "..\..\fix_temp_berendsen.h" +#include "..\..\fix_temp_rescale.h" +#include "..\..\fix_thermal_conductivity.h" +#include "..\..\fix_tmd.h" +#include "..\..\fix_ttm.h" +#include "..\..\fix_viscosity.h" +#include "..\..\fix_viscous.h" +#include "..\..\fix_wall_harmonic.h" +#include "..\..\fix_wall_lj126.h" +#include "..\..\fix_wall_lj93.h" +#include "..\..\fix_wall_reflect.h" +#include "..\..\fix_wall_region.h" +#include "..\..\MANYBODY\fix_qeq_comb.h" diff --git a/src/WINDOWS/settings/style_improper.h b/src/WINDOWS/settings/style_improper.h new file mode 100644 index 0000000000000000000000000000000000000000..ad37d47388c7dccc08054e0237935601301fecac --- /dev/null +++ b/src/WINDOWS/settings/style_improper.h @@ -0,0 +1,5 @@ +// File is generaged by ListModules() macro +#include "..\..\MOLECULE\improper_cvff.h" +#include "..\..\MOLECULE\improper_harmonic.h" +#include "..\..\MOLECULE\improper_hybrid.h" +#include "..\..\MOLECULE\improper_umbrella.h" diff --git a/src/WINDOWS/settings/style_integrate.h b/src/WINDOWS/settings/style_integrate.h new file mode 100644 index 0000000000000000000000000000000000000000..fa3760c571a47c53e47e13d8e35b61c65659b1fd --- /dev/null +++ b/src/WINDOWS/settings/style_integrate.h @@ -0,0 +1,3 @@ +// File is generaged by ListModules() macro +#include "..\..\respa.h" +#include "..\..\verlet.h" diff --git a/src/WINDOWS/settings/style_kspace.h b/src/WINDOWS/settings/style_kspace.h new file mode 100644 index 0000000000000000000000000000000000000000..65efb2a52dfa96e84196253ef447a33d9031621d --- /dev/null +++ b/src/WINDOWS/settings/style_kspace.h @@ -0,0 +1,5 @@ +// File is generaged by ListModules() macro +#include "..\..\KSPACE\ewald.h" +#include "..\..\KSPACE\pppm.h" +#include "..\..\KSPACE\pppm_cg.h" +#include "..\..\KSPACE\pppm_tip4p.h" diff --git a/src/WINDOWS/settings/style_minimize.h b/src/WINDOWS/settings/style_minimize.h new file mode 100644 index 0000000000000000000000000000000000000000..1156a809c1aadeb54fd9aef9613d058137f0fbb5 --- /dev/null +++ b/src/WINDOWS/settings/style_minimize.h @@ -0,0 +1,6 @@ +// File is generaged by ListModules() macro +#include "..\..\min_cg.h" +#include "..\..\min_fire.h" +#include "..\..\min_hftn.h" +#include "..\..\min_quickmin.h" +#include "..\..\min_sd.h" diff --git a/src/WINDOWS/settings/style_pair.h b/src/WINDOWS/settings/style_pair.h new file mode 100644 index 0000000000000000000000000000000000000000..875a966e7ad54ab700cb747bde122dcaa28a46d8 --- /dev/null +++ b/src/WINDOWS/settings/style_pair.h @@ -0,0 +1,49 @@ +// File is generaged by ListModules() macro +#include "..\..\pair_beck.h" +#include "..\..\pair_born.h" +#include "..\..\pair_born_coul_wolf.h" +#include "..\..\pair_buck.h" +#include "..\..\pair_buck_coul_cut.h" +#include "..\..\pair_coul_cut.h" +#include "..\..\pair_coul_debye.h" +#include "..\..\pair_coul_wolf.h" +#include "..\..\pair_dpd.h" +#include "..\..\pair_dpd_tstat.h" +#include "..\..\pair_gauss.h" +#include "..\..\pair_hybrid.h" +#include "..\..\pair_hybrid_overlay.h" +#include "..\..\pair_lj96_cut.h" +#include "..\..\pair_lj_cubic.h" +#include "..\..\pair_lj_cut.h" +#include "..\..\pair_lj_cut_coul_cut.h" +#include "..\..\pair_lj_cut_coul_debye.h" +#include "..\..\pair_lj_expand.h" +#include "..\..\pair_lj_gromacs.h" +#include "..\..\pair_lj_gromacs_coul_gromacs.h" +#include "..\..\pair_lj_smooth.h" +#include "..\..\pair_lj_smooth_linear.h" +#include "..\..\pair_morse.h" +#include "..\..\pair_soft.h" +#include "..\..\pair_table.h" +#include "..\..\pair_yukawa.h" +#include "..\..\MANYBODY\pair_adp.h" +#include "..\..\MANYBODY\pair_airebo.h" +#include "..\..\MANYBODY\pair_comb.h" +#include "..\..\MANYBODY\pair_eam.h" +#include "..\..\MANYBODY\pair_eam_alloy.h" +#include "..\..\MANYBODY\pair_eam_fs.h" +#include "..\..\MANYBODY\pair_eim.h" +#include "..\..\MANYBODY\pair_rebo.h" +#include "..\..\MANYBODY\pair_sw.h" +#include "..\..\MANYBODY\pair_tersoff.h" +#include "..\..\MANYBODY\pair_tersoff_zbl.h" +#include "..\..\KSPACE\pair_born_coul_long.h" +#include "..\..\KSPACE\pair_buck_coul_long.h" +#include "..\..\KSPACE\pair_coul_long.h" +#include "..\..\KSPACE\pair_lj_charmm_coul_long.h" +#include "..\..\KSPACE\pair_lj_cut_coul_long.h" +#include "..\..\KSPACE\pair_lj_cut_coul_long_tip4p.h" +#include "..\..\MOLECULE\pair_hbond_dreiding_lj.h" +#include "..\..\MOLECULE\pair_hbond_dreiding_morse.h" +#include "..\..\MOLECULE\pair_lj_charmm_coul_charmm.h" +#include "..\..\MOLECULE\pair_lj_charmm_coul_charmm_implicit.h" diff --git a/src/WINDOWS/settings/style_region.h b/src/WINDOWS/settings/style_region.h new file mode 100644 index 0000000000000000000000000000000000000000..2815c440aa04be3e5c581cbdb7b8945be4b8bfd9 --- /dev/null +++ b/src/WINDOWS/settings/style_region.h @@ -0,0 +1,9 @@ +// File is generaged by ListModules() macro +#include "..\..\region_block.h" +#include "..\..\region_cone.h" +#include "..\..\region_cylinder.h" +#include "..\..\region_intersect.h" +#include "..\..\region_plane.h" +#include "..\..\region_prism.h" +#include "..\..\region_sphere.h" +#include "..\..\region_union.h"