From 8c1e14ea6486e31e54c8a4a5229f51cc24e942cd Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 13 Jun 2011 23:56:07 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6392 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/WINDOWS/AWPMD.sln | 36 + src/WINDOWS/AWPMD.vcproj | 2339 ++++++++++ src/WINDOWS/LAMMPS-std-user.vcproj | 3867 +++++++++++++++++ src/WINDOWS/LAMMPS-std.vcproj | 3483 +++++++++++++++ src/WINDOWS/LAMMPS.sln | 56 + src/WINDOWS/LAMMPS.vcproj | 2739 ++++++++++++ src/WINDOWS/README.txt | 46 + src/WINDOWS/STUBS.vcproj | 156 + src/WINDOWS/extra/dirent.h | 372 ++ src/WINDOWS/extra/erf.h | 19 + src/WINDOWS/extra/erf_namd.c | 345 ++ src/WINDOWS/extra/fftw2/FFTW2dll.dll | Bin 0 -> 263168 bytes src/WINDOWS/extra/fftw2/FFTW2dll.lib | Bin 0 -> 22998 bytes src/WINDOWS/extra/fftw2/FFTW2st.lib | Bin 0 -> 404572 bytes src/WINDOWS/extra/fftw2/RFFTW2dll.dll | Bin 0 -> 481792 bytes src/WINDOWS/extra/fftw2/RFFTW2dll.lib | Bin 0 -> 35830 bytes src/WINDOWS/extra/fftw2/RFFTW2st.lib | Bin 0 -> 337962 bytes src/WINDOWS/extra/fftw2/fftw.h | 421 ++ src/WINDOWS/extra/inttypes.h | 305 ++ src/WINDOWS/extra/sleep.cpp | 10 + src/WINDOWS/extra/sleep.h | 1 + src/WINDOWS/extra/stdint.h | 247 ++ src/WINDOWS/extra/sys/time.h | 35 + src/WINDOWS/extra/unistd.h | 1 + src/WINDOWS/settings_awpmd/style_angle.h | 0 src/WINDOWS/settings_awpmd/style_atom.h | 6 + src/WINDOWS/settings_awpmd/style_bond.h | 1 + src/WINDOWS/settings_awpmd/style_command.h | 15 + src/WINDOWS/settings_awpmd/style_compute.h | 43 + src/WINDOWS/settings_awpmd/style_dihedral.h | 0 src/WINDOWS/settings_awpmd/style_dump.h | 7 + src/WINDOWS/settings_awpmd/style_fix.h | 67 + src/WINDOWS/settings_awpmd/style_improper.h | 0 src/WINDOWS/settings_awpmd/style_integrate.h | 2 + src/WINDOWS/settings_awpmd/style_kspace.h | 0 src/WINDOWS/settings_awpmd/style_minimize.h | 5 + src/WINDOWS/settings_awpmd/style_pair.h | 23 + src/WINDOWS/settings_awpmd/style_region.h | 8 + src/WINDOWS/settings_default/style_angle.h | 8 + src/WINDOWS/settings_default/style_atom.h | 9 + src/WINDOWS/settings_default/style_bond.h | 8 + src/WINDOWS/settings_default/style_command.h | 15 + src/WINDOWS/settings_default/style_compute.h | 43 + src/WINDOWS/settings_default/style_dihedral.h | 6 + src/WINDOWS/settings_default/style_dump.h | 7 + src/WINDOWS/settings_default/style_fix.h | 70 + src/WINDOWS/settings_default/style_improper.h | 4 + .../settings_default/style_integrate.h | 2 + src/WINDOWS/settings_default/style_kspace.h | 3 + src/WINDOWS/settings_default/style_minimize.h | 5 + src/WINDOWS/settings_default/style_pair.h | 42 + src/WINDOWS/settings_default/style_region.h | 8 + src/WINDOWS/settings_standard/style_angle.h | 9 + src/WINDOWS/settings_standard/style_atom.h | 11 + src/WINDOWS/settings_standard/style_bond.h | 9 + src/WINDOWS/settings_standard/style_command.h | 15 + src/WINDOWS/settings_standard/style_compute.h | 46 + .../settings_standard/style_dihedral.h | 7 + src/WINDOWS/settings_standard/style_dump.h | 7 + src/WINDOWS/settings_standard/style_fix.h | 83 + .../settings_standard/style_improper.h | 5 + .../settings_standard/style_integrate.h | 2 + src/WINDOWS/settings_standard/style_kspace.h | 3 + .../settings_standard/style_minimize.h | 5 + src/WINDOWS/settings_standard/style_pair.h | 63 + src/WINDOWS/settings_standard/style_region.h | 8 + 66 files changed, 15158 insertions(+) create mode 100644 src/WINDOWS/AWPMD.sln create mode 100644 src/WINDOWS/AWPMD.vcproj create mode 100644 src/WINDOWS/LAMMPS-std-user.vcproj create mode 100644 src/WINDOWS/LAMMPS-std.vcproj create mode 100644 src/WINDOWS/LAMMPS.sln create mode 100644 src/WINDOWS/LAMMPS.vcproj create mode 100644 src/WINDOWS/README.txt create mode 100644 src/WINDOWS/STUBS.vcproj create mode 100644 src/WINDOWS/extra/dirent.h create mode 100644 src/WINDOWS/extra/erf.h create mode 100644 src/WINDOWS/extra/erf_namd.c create mode 100644 src/WINDOWS/extra/fftw2/FFTW2dll.dll create mode 100644 src/WINDOWS/extra/fftw2/FFTW2dll.lib create mode 100644 src/WINDOWS/extra/fftw2/FFTW2st.lib create mode 100644 src/WINDOWS/extra/fftw2/RFFTW2dll.dll create mode 100644 src/WINDOWS/extra/fftw2/RFFTW2dll.lib create mode 100644 src/WINDOWS/extra/fftw2/RFFTW2st.lib create mode 100644 src/WINDOWS/extra/fftw2/fftw.h create mode 100644 src/WINDOWS/extra/inttypes.h create mode 100644 src/WINDOWS/extra/sleep.cpp create mode 100644 src/WINDOWS/extra/sleep.h create mode 100644 src/WINDOWS/extra/stdint.h create mode 100644 src/WINDOWS/extra/sys/time.h create mode 100644 src/WINDOWS/extra/unistd.h create mode 100644 src/WINDOWS/settings_awpmd/style_angle.h create mode 100644 src/WINDOWS/settings_awpmd/style_atom.h create mode 100644 src/WINDOWS/settings_awpmd/style_bond.h create mode 100644 src/WINDOWS/settings_awpmd/style_command.h create mode 100644 src/WINDOWS/settings_awpmd/style_compute.h create mode 100644 src/WINDOWS/settings_awpmd/style_dihedral.h create mode 100644 src/WINDOWS/settings_awpmd/style_dump.h create mode 100644 src/WINDOWS/settings_awpmd/style_fix.h create mode 100644 src/WINDOWS/settings_awpmd/style_improper.h create mode 100644 src/WINDOWS/settings_awpmd/style_integrate.h create mode 100644 src/WINDOWS/settings_awpmd/style_kspace.h create mode 100644 src/WINDOWS/settings_awpmd/style_minimize.h create mode 100644 src/WINDOWS/settings_awpmd/style_pair.h create mode 100644 src/WINDOWS/settings_awpmd/style_region.h create mode 100644 src/WINDOWS/settings_default/style_angle.h create mode 100644 src/WINDOWS/settings_default/style_atom.h create mode 100644 src/WINDOWS/settings_default/style_bond.h create mode 100644 src/WINDOWS/settings_default/style_command.h create mode 100644 src/WINDOWS/settings_default/style_compute.h create mode 100644 src/WINDOWS/settings_default/style_dihedral.h create mode 100644 src/WINDOWS/settings_default/style_dump.h create mode 100644 src/WINDOWS/settings_default/style_fix.h create mode 100644 src/WINDOWS/settings_default/style_improper.h create mode 100644 src/WINDOWS/settings_default/style_integrate.h create mode 100644 src/WINDOWS/settings_default/style_kspace.h create mode 100644 src/WINDOWS/settings_default/style_minimize.h create mode 100644 src/WINDOWS/settings_default/style_pair.h create mode 100644 src/WINDOWS/settings_default/style_region.h create mode 100644 src/WINDOWS/settings_standard/style_angle.h create mode 100644 src/WINDOWS/settings_standard/style_atom.h create mode 100644 src/WINDOWS/settings_standard/style_bond.h create mode 100644 src/WINDOWS/settings_standard/style_command.h create mode 100644 src/WINDOWS/settings_standard/style_compute.h create mode 100644 src/WINDOWS/settings_standard/style_dihedral.h create mode 100644 src/WINDOWS/settings_standard/style_dump.h create mode 100644 src/WINDOWS/settings_standard/style_fix.h create mode 100644 src/WINDOWS/settings_standard/style_improper.h create mode 100644 src/WINDOWS/settings_standard/style_integrate.h create mode 100644 src/WINDOWS/settings_standard/style_kspace.h create mode 100644 src/WINDOWS/settings_standard/style_minimize.h create mode 100644 src/WINDOWS/settings_standard/style_pair.h create mode 100644 src/WINDOWS/settings_standard/style_region.h diff --git a/src/WINDOWS/AWPMD.sln b/src/WINDOWS/AWPMD.sln new file mode 100644 index 0000000000..9e8185c529 --- /dev/null +++ b/src/WINDOWS/AWPMD.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}") = "AWPMD", "AWPMD.vcproj", "{B11BF870-BC44-4A87-9938-94D33EB5E219}" +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 + {B11BF870-BC44-4A87-9938-94D33EB5E219}.Debug_STUBS|Win32.ActiveCfg = Debug_STUBS|Win32 + {B11BF870-BC44-4A87-9938-94D33EB5E219}.Debug_STUBS|Win32.Build.0 = Debug_STUBS|Win32 + {B11BF870-BC44-4A87-9938-94D33EB5E219}.Debug|Win32.ActiveCfg = Debug|Win32 + {B11BF870-BC44-4A87-9938-94D33EB5E219}.Debug|Win32.Build.0 = Debug|Win32 + {B11BF870-BC44-4A87-9938-94D33EB5E219}.Release_STUBS|Win32.ActiveCfg = Release_STUBS|Win32 + {B11BF870-BC44-4A87-9938-94D33EB5E219}.Release_STUBS|Win32.Build.0 = Release_STUBS|Win32 + {B11BF870-BC44-4A87-9938-94D33EB5E219}.Release|Win32.ActiveCfg = Release|Win32 + {B11BF870-BC44-4A87-9938-94D33EB5E219}.Release|Win32.Build.0 = Release|Win32 + EndGlobalSection + GlobalSection(SolutionProperties) = preSolution + HideSolutionNode = FALSE + EndGlobalSection +EndGlobal diff --git a/src/WINDOWS/AWPMD.vcproj b/src/WINDOWS/AWPMD.vcproj new file mode 100644 index 0000000000..3a607d1408 --- /dev/null +++ b/src/WINDOWS/AWPMD.vcproj @@ -0,0 +1,2339 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 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100644 index 0000000000..8c5fb09a34 --- /dev/null +++ b/src/WINDOWS/LAMMPS-std.vcproj @@ -0,0 +1,3483 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 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+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/src/WINDOWS/LAMMPS.sln b/src/WINDOWS/LAMMPS.sln new file mode 100644 index 0000000000..0c83d20c45 --- /dev/null +++ b/src/WINDOWS/LAMMPS.sln @@ -0,0 +1,56 @@ + +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-stdandard", "LAMMPS-std.vcproj", "{56FA6262-F9C1-4FB5-A684-2DC631E91591}" +EndProject +Project("{8BC9CEB8-8B4A-11D0-8D11-00A0C91BC942}") = "LAMMPS-default", "LAMMPS.vcproj", "{B11BF870-BC44-4A87-9938-94D33EB5E219}" +EndProject +Project("{8BC9CEB8-8B4A-11D0-8D11-00A0C91BC942}") = "LAMMPS-std-user", "LAMMPS-std-user.vcproj", "{0D805535-F87A-4E1F-AA3D-F00462E9F222}" +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 + {56FA6262-F9C1-4FB5-A684-2DC631E91591}.Debug_STUBS|Win32.ActiveCfg = Debug_STUBS|Win32 + {56FA6262-F9C1-4FB5-A684-2DC631E91591}.Debug_STUBS|Win32.Build.0 = Debug_STUBS|Win32 + {56FA6262-F9C1-4FB5-A684-2DC631E91591}.Debug|Win32.ActiveCfg = Debug|Win32 + {56FA6262-F9C1-4FB5-A684-2DC631E91591}.Debug|Win32.Build.0 = Debug|Win32 + {56FA6262-F9C1-4FB5-A684-2DC631E91591}.Release_STUBS|Win32.ActiveCfg = Release_STUBS|Win32 + {56FA6262-F9C1-4FB5-A684-2DC631E91591}.Release_STUBS|Win32.Build.0 = Release_STUBS|Win32 + {56FA6262-F9C1-4FB5-A684-2DC631E91591}.Release|Win32.ActiveCfg = Release|Win32 + {56FA6262-F9C1-4FB5-A684-2DC631E91591}.Release|Win32.Build.0 = Release|Win32 + {B11BF870-BC44-4A87-9938-94D33EB5E219}.Debug_STUBS|Win32.ActiveCfg = Debug_STUBS|Win32 + {B11BF870-BC44-4A87-9938-94D33EB5E219}.Debug_STUBS|Win32.Build.0 = Debug_STUBS|Win32 + {B11BF870-BC44-4A87-9938-94D33EB5E219}.Debug|Win32.ActiveCfg = Debug|Win32 + {B11BF870-BC44-4A87-9938-94D33EB5E219}.Debug|Win32.Build.0 = Debug|Win32 + {B11BF870-BC44-4A87-9938-94D33EB5E219}.Release_STUBS|Win32.ActiveCfg = Release_STUBS|Win32 + {B11BF870-BC44-4A87-9938-94D33EB5E219}.Release_STUBS|Win32.Build.0 = Release_STUBS|Win32 + {B11BF870-BC44-4A87-9938-94D33EB5E219}.Release|Win32.ActiveCfg = Release|Win32 + {B11BF870-BC44-4A87-9938-94D33EB5E219}.Release|Win32.Build.0 = Release|Win32 + {0D805535-F87A-4E1F-AA3D-F00462E9F222}.Debug_STUBS|Win32.ActiveCfg = Debug_STUBS|Win32 + {0D805535-F87A-4E1F-AA3D-F00462E9F222}.Debug_STUBS|Win32.Build.0 = Debug_STUBS|Win32 + {0D805535-F87A-4E1F-AA3D-F00462E9F222}.Debug|Win32.ActiveCfg = Debug|Win32 + {0D805535-F87A-4E1F-AA3D-F00462E9F222}.Debug|Win32.Build.0 = Debug|Win32 + {0D805535-F87A-4E1F-AA3D-F00462E9F222}.Release_STUBS|Win32.ActiveCfg = Release_STUBS|Win32 + {0D805535-F87A-4E1F-AA3D-F00462E9F222}.Release_STUBS|Win32.Build.0 = Release_STUBS|Win32 + {0D805535-F87A-4E1F-AA3D-F00462E9F222}.Release|Win32.ActiveCfg = Release|Win32 + {0D805535-F87A-4E1F-AA3D-F00462E9F222}.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 0000000000..60db7a51b4 --- /dev/null +++ b/src/WINDOWS/LAMMPS.vcproj @@ -0,0 +1,2739 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/src/WINDOWS/README.txt b/src/WINDOWS/README.txt new file mode 100644 index 0000000000..f17f4fa94c --- /dev/null +++ b/src/WINDOWS/README.txt @@ -0,0 +1,46 @@ +INSTRUCTIONS FOR COMPILING LAMMPS WITH VISUAL STUDIO 2005 + + +There are 3 VS projects provided: +LAMMPS.vcproj -- minimal package set: KSPACE, MANYBODY, MOLECULE +LAMMPS-std.vcproj -- standard package set (except for REPLICA, REAX, GPU) +LAMMPS-std-user.vcproj -- standard set with some user packages + + +Each of the projects 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 the STUBS.vcproj +2. Compile LAMMPS using Debug_STUBS or Release_STUBS configurations from the provided projects + + + +To run the code you will need the mpich and fftw213 dlls accessible +by the system search (they may be copied to Windows/system32 directory). +The fftw213 ddlls may be found in vs9/extra/fftw213 or downloaded from the fftw site + + + + +To include additional packages into LAMMPS projects, you may follow the pattern of LAMMPS-std-user.vcproj: + + +1. Add the appropriate *.cpp files to the project (for example to USER-* filter) + +2. Add corresponding .h files from the project directory + to the style_* headers listed in the Settings filter of the project. + For example, if there is a pair_*.h file in the project directory, it should be added + to settings/style_pair.h aggregate header. + + + diff --git a/src/WINDOWS/STUBS.vcproj b/src/WINDOWS/STUBS.vcproj new file mode 100644 index 0000000000..ec94668d75 --- /dev/null +++ b/src/WINDOWS/STUBS.vcproj @@ -0,0 +1,156 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/src/WINDOWS/extra/dirent.h b/src/WINDOWS/extra/dirent.h new file mode 100644 index 0000000000..79e946d079 --- /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 +#include +#include +#include +#include +#include + +/* 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 0000000000..0e7b0549a9 --- /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 0000000000..50e81733df --- /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 >= 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 + +//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 GIT binary patch literal 263168 zcmeFaeQ;gpdDsc^f)pZw0^%YmB%{*J7TZNbu7i#^Te#w6uWeXH62-YBMFO@d3fV9% ztg1Gel3g|{tI(313c0!|)6s6#iDsAGWvANKyVB029d6s%0HQufk&@AH0~bASGm$Gd7>U0vP$yLPRs z>l9c2YsB9_`_BT^H{bqmZtnW6A9?8~PHnjRrJuNG=F@+tKKm=5{TsjXi+`*BOTYM; z&wTb^{lEI<`mY@NO#RcJsgM7{?)u;Q?15kYz?LmH4j0hh_{H0P^PhIjo>~9zKk)pQ zhJNMDzv8;<)4w!h-4COr`O&VfyEk-q{g?mxC&#Kbm%DEMiJLZTy0Pou!P$70_P@w| zKlc~pmOJk^Cf^pwfBZMfU3s9I|7d92&NUw|T&{IJK)bQuuXXLP`iK43-`(}~TYgyO zpHU8-%|E010|$Tk@ImYUZQ)B^J4|H9dRN!<2Y%(iFCP5GuC5(FMwz_-IM;=cK{n!V zga1E}&AQJ2Cgsy%R_fucYl!RW_qF>lrT_nb{~wUR zp4MAOzJB${TjRU;whr}Awm#Q$$JryV*XHjYu0OQ1wP&F9(cad}^Y;w*FTT=E;c)8< z{2j8ob@j+Xf9v-7TU+;a&wsMJbzjf?Cwp4^X!7@a=YO@gMW5D#!$Y;-`31Yrb9?Cg 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