forked from lijiext/lammps
Merge branch 'master' into doc-updates
This commit is contained in:
Axel Kohlmeyer
commit
5c22d1197e
|
|
@ -249,6 +249,26 @@ if(${CMAKE_CXX_COMPILER_ID} STREQUAL "GNU")
|
|||
endif()
|
||||
endif()
|
||||
|
||||
#######################################
|
||||
# add custom target for IWYU analysis
|
||||
#######################################
|
||||
set(ENABLE_IWYU OFF CACHE BOOL "Add 'iwyu' build target to call the include-what-you-use tool")
|
||||
mark_as_advanced(ENABLE_IWYU)
|
||||
if(ENABLE_IWYU)
|
||||
find_program(IWYU_EXE NAMES include-what-you-use iwyu)
|
||||
find_program(IWYU_TOOL NAMES iwyu_tool iwyu-tool iwyu_tool.py)
|
||||
if (IWYU_EXE AND IWYU_TOOL)
|
||||
add_custom_target(
|
||||
iwyu
|
||||
${IWYU_TOOL} -o clang -p ${CMAKE_CURRENT_BINARY_DIR} -- -Xiwyu --mapping_file=${CMAKE_CURRENT_SOURCE_DIR}/iwyu/iwyu-extra-map.imp
|
||||
COMMENT "Running IWYU")
|
||||
add_dependencies(iwyu lammps)
|
||||
else()
|
||||
message(FATAL_ERROR "To use IWYU you need the include-what-you-use/iwyu executable"
|
||||
"and the iwyu-tool/iwyu_tool script installed in your PATH")
|
||||
endif()
|
||||
endif()
|
||||
|
||||
set(ENABLE_SANITIZER "none" CACHE STRING "Select a code sanitizer option (none (default), address, leak, thread, undefined)")
|
||||
mark_as_advanced(ENABLE_SANITIZER)
|
||||
set(ENABLE_SANITIZER_VALUES none address leak thread undefined)
|
||||
|
|
@ -293,7 +313,6 @@ if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-QUIP OR PKG_LATTE)
|
|||
endif()
|
||||
endif()
|
||||
|
||||
|
||||
find_package(JPEG QUIET)
|
||||
option(WITH_JPEG "Enable JPEG support" ${JPEG_FOUND})
|
||||
if(WITH_JPEG)
|
||||
|
|
|
|||
|
|
@ -0,0 +1,7 @@
|
|||
[
|
||||
{ include: [ "<bits/types/struct_rusage.h>", private, "<sys/resource.h>", public ] },
|
||||
{ include: [ "<bits/exception.h>", public, "<exception>", public ] },
|
||||
{ include: [ "@<Eigen/.*>", private, "<Eigen/Eigen>", public ] },
|
||||
{ include: [ "@<gtest/.*>", private, "\"gtest/gtest.h\"", public ] },
|
||||
{ include: [ "@<gmock/.*>", private, "\"gmock/gmock.h\"", public ] },
|
||||
]
|
||||
|
|
@ -91,32 +91,31 @@ statements should follow the "include what you use" principle.
|
|||
|
||||
Include files should be included in this order:
|
||||
* the header matching the implementation (`some_class.h` for file `some_class.cpp`)
|
||||
* mpi.h
|
||||
* system and library headers (anything that is using angular brackets; C-library headers first, then C++)
|
||||
* mpi.h (only if needed)
|
||||
* LAMMPS local headers (preferably in alphabetical order)
|
||||
* system and library headers (anything that is using angular brackets; preferably in alphabetical order)
|
||||
* conditional include statements (i.e. anything bracketed with ifdefs)
|
||||
|
||||
### Special Cases and Exceptions
|
||||
|
||||
#### pointers.h
|
||||
|
||||
The `pointer.h` header file also includes `cstdio`, `cstddef`,
|
||||
`string`, `lmptype.h`, and `utils.h` (and through those indirectly
|
||||
`stdint.h`, `intttypes.h`, cstdlib, and `climits`).
|
||||
The `pointer.h` header file also includes (in this order) `lmptype.h`,
|
||||
`mpi.h`, `cstddef`, `cstdio`, `string`, `utils.h`, and `fmt/format.h`
|
||||
and through `lmptype.h` indirectly also `climits`, `cstdlib`, `cinttypes`.
|
||||
This means any header including `pointers.h` can assume that `FILE`,
|
||||
`NULL`, `INT_MAX` are defined, they may freely use std::string
|
||||
and functions from the utils namespace without including the
|
||||
corresponding header files.
|
||||
`NULL`, `INT_MAX` are defined, and the may freely use the std::string
|
||||
for arguments. Corresponding implementation files do not need to include
|
||||
those headers.
|
||||
|
||||
## Tools
|
||||
|
||||
The [Include What You Use tool](https://include-what-you-use.org/)
|
||||
can be used to provide supporting information about compliance with
|
||||
the rules listed here. There are some limitations and the IWYU tool
|
||||
may give incorrect advice. The tools is activated by setting the
|
||||
CMake variable `CMAKE_CXX_INCLUDE_WHAT_YOU_USE` variable to the
|
||||
path of the `include-what-you-use` command. When activated, the
|
||||
tool will be run after each compilation and provide suggestions for
|
||||
which include files should be added or removed.
|
||||
the rules listed here. Through setting `-DENABLE_IWYU=on` when running
|
||||
CMake, a custom build target is added that will enable recording
|
||||
the compilation commands and then run the `iwyu_tool` using the
|
||||
recorded compilation commands information when typing `make iwyu`.
|
||||
|
||||
## Legacy Code
|
||||
|
||||
|
|
|
|||
|
|
@ -28,6 +28,40 @@ variable VERBOSE set to 1:
|
|||
|
||||
----------
|
||||
|
||||
.. _iwyu_processing:
|
||||
|
||||
Report missing and unneeded '#include' statements
|
||||
-------------------------------------------------
|
||||
|
||||
The conventions for how and when to use and order include statements in
|
||||
LAMMPS are `documented in a separate file <https://github.com/lammps/lammps/blob/master/doc/include-file-conventions.md>`_
|
||||
(also included in the source code distribution). To assist with following
|
||||
these conventions one can use the `Include What You Use tool <https://include-what-you-use.org/>`_.
|
||||
This is still under development and for large and complex projects like LAMMPS
|
||||
there are some false positives, so suggested changes need to be verified manually.
|
||||
It is recommended to use at least version 0.14, which has much fewer incorrect
|
||||
reports than earlier versions.
|
||||
|
||||
The necessary steps to generate the report can be enabled via a
|
||||
CMake variable:
|
||||
|
||||
.. code-block:: bash
|
||||
|
||||
-D ENABLE_IWYU=value # value = no (default) or yes
|
||||
|
||||
This will check if the required binary (include-what-you-use or iwyu)
|
||||
and python script script (iwyu-tool or iwyu_tool or iwyu_tool.py) can
|
||||
be found in the path. The analysis can then be started with:
|
||||
|
||||
.. code-block:: bash
|
||||
|
||||
make iwyu
|
||||
|
||||
This may first run some compilation, as the analysis is dependent
|
||||
on recording all commands required to do the compilation.
|
||||
|
||||
----------
|
||||
|
||||
.. _sanitizer:
|
||||
|
||||
Address, Undefined Behavior, and Thread Sanitizer Support
|
||||
|
|
|
|||
|
|
@ -1,16 +1,12 @@
|
|||
.. index:: angle_style charmm
|
||||
.. index:: angle_style charmm/intel
|
||||
.. index:: angle_style charmm/kk
|
||||
.. index:: angle_style charmm/omp
|
||||
|
||||
angle_style charmm command
|
||||
==========================
|
||||
|
||||
angle_style charmm/intel command
|
||||
================================
|
||||
|
||||
angle_style charmm/kk command
|
||||
=============================
|
||||
|
||||
angle_style charmm/omp command
|
||||
==============================
|
||||
Accelerator Variants: *charmm/intel*, *charmm/kk*, *charmm/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,13 +1,12 @@
|
|||
.. index:: angle_style class2
|
||||
.. index:: angle_style class2/kk
|
||||
.. index:: angle_style class2/omp
|
||||
.. index:: angle_style class2/p6
|
||||
|
||||
angle_style class2 command
|
||||
==========================
|
||||
|
||||
angle_style class2/kk command
|
||||
=============================
|
||||
|
||||
angle_style class2/omp command
|
||||
==============================
|
||||
Accelerator Variants: *class2/kk*, *class2/omp*
|
||||
|
||||
angle_style class2/p6 command
|
||||
=============================
|
||||
|
|
|
|||
|
|
@ -1,13 +1,11 @@
|
|||
.. index:: angle_style cosine
|
||||
.. index:: angle_style cosine/omp
|
||||
.. index:: angle_style cosine/kk
|
||||
|
||||
angle_style cosine command
|
||||
==========================
|
||||
|
||||
angle_style cosine/omp command
|
||||
==============================
|
||||
|
||||
angle_style cosine/kk command
|
||||
=============================
|
||||
Accelerator Variants: *cosine/omp*, *cosine/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: angle_style cosine/delta
|
||||
.. index:: angle_style cosine/delta/omp
|
||||
|
||||
angle_style cosine/delta command
|
||||
================================
|
||||
|
||||
angle_style cosine/delta/omp command
|
||||
====================================
|
||||
Accelerator Variants: *cosine/delta/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: angle_style cosine/periodic
|
||||
.. index:: angle_style cosine/periodic/omp
|
||||
|
||||
angle_style cosine/periodic command
|
||||
===================================
|
||||
|
||||
angle_style cosine/periodic/omp command
|
||||
=======================================
|
||||
Accelerator Variants: *cosine/periodic/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: angle_style cosine/shift
|
||||
.. index:: angle_style cosine/shift/omp
|
||||
|
||||
angle_style cosine/shift command
|
||||
=================================
|
||||
================================
|
||||
|
||||
angle_style cosine/shift/omp command
|
||||
====================================
|
||||
Accelerator Variants: *cosine/shift/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: angle_style cosine/shift/exp
|
||||
.. index:: angle_style cosine/shift/exp/omp
|
||||
|
||||
angle_style cosine/shift/exp command
|
||||
====================================
|
||||
|
||||
angle_style cosine/shift/exp/omp command
|
||||
========================================
|
||||
Accelerator Variants: *cosine/shift/exp/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: angle_style cosine/squared
|
||||
.. index:: angle_style cosine/squared/omp
|
||||
|
||||
angle_style cosine/squared command
|
||||
==================================
|
||||
|
||||
angle_style cosine/squared/omp command
|
||||
======================================
|
||||
Accelerator Variants: *cosine/squared/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,7 +1,7 @@
|
|||
.. index:: angle_style cross
|
||||
|
||||
angle_style cross command
|
||||
==========================
|
||||
=========================
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: angle_style dipole
|
||||
.. index:: angle_style dipole/omp
|
||||
|
||||
angle_style dipole command
|
||||
==========================
|
||||
|
||||
angle_style dipole/omp command
|
||||
==============================
|
||||
Accelerator Variants: *dipole/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: angle_style fourier
|
||||
.. index:: angle_style fourier/omp
|
||||
|
||||
angle_style fourier command
|
||||
===========================
|
||||
|
||||
angle_style fourier/omp command
|
||||
===============================
|
||||
Accelerator Variants: *fourier/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: angle_style fourier/simple
|
||||
.. index:: angle_style fourier/simple/omp
|
||||
|
||||
angle_style fourier/simple command
|
||||
==================================
|
||||
|
||||
angle_style fourier/simple/omp command
|
||||
======================================
|
||||
Accelerator Variants: *fourier/simple/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,16 +1,12 @@
|
|||
.. index:: angle_style harmonic
|
||||
.. index:: angle_style harmonic/intel
|
||||
.. index:: angle_style harmonic/kk
|
||||
.. index:: angle_style harmonic/omp
|
||||
|
||||
angle_style harmonic command
|
||||
============================
|
||||
|
||||
angle_style harmonic/intel command
|
||||
==================================
|
||||
|
||||
angle_style harmonic/kk command
|
||||
===============================
|
||||
|
||||
angle_style harmonic/omp command
|
||||
================================
|
||||
Accelerator Variants: *harmonic/intel*, *harmonic/kk*, *harmonic/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: angle_style quartic
|
||||
.. index:: angle_style quartic/omp
|
||||
|
||||
angle_style quartic command
|
||||
===========================
|
||||
|
||||
angle_style quartic/omp command
|
||||
===============================
|
||||
Accelerator Variants: *quartic/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: angle_style sdk
|
||||
.. index:: angle_style sdk/omp
|
||||
|
||||
angle_style sdk command
|
||||
=======================
|
||||
|
||||
angle_style sdk/omp command
|
||||
===========================
|
||||
Accelerator Variants: *sdk/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: angle_style table
|
||||
.. index:: angle_style table/omp
|
||||
|
||||
angle_style table command
|
||||
=========================
|
||||
|
||||
angle_style table/omp command
|
||||
=============================
|
||||
Accelerator Variants: *table/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,13 +1,11 @@
|
|||
.. index:: bond_style class2
|
||||
.. index:: bond_style class2/omp
|
||||
.. index:: bond_style class2/kk
|
||||
|
||||
bond_style class2 command
|
||||
=========================
|
||||
|
||||
bond_style class2/omp command
|
||||
=============================
|
||||
|
||||
bond_style class2/kk command
|
||||
============================
|
||||
Accelerator Variants: *class2/omp*, *class2/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,16 +1,12 @@
|
|||
.. index:: bond_style fene
|
||||
.. index:: bond_style fene/intel
|
||||
.. index:: bond_style fene/kk
|
||||
.. index:: bond_style fene/omp
|
||||
|
||||
bond_style fene command
|
||||
=======================
|
||||
|
||||
bond_style fene/intel command
|
||||
=============================
|
||||
|
||||
bond_style fene/kk command
|
||||
==========================
|
||||
|
||||
bond_style fene/omp command
|
||||
===========================
|
||||
Accelerator Variants: *fene/intel*, *fene/kk*, *fene/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: bond_style fene/expand
|
||||
.. index:: bond_style fene/expand/omp
|
||||
|
||||
bond_style fene/expand command
|
||||
==============================
|
||||
|
||||
bond_style fene/expand/omp command
|
||||
==================================
|
||||
Accelerator Variants: *fene/expand/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: bond_style gromos
|
||||
.. index:: bond_style gromos/omp
|
||||
|
||||
bond_style gromos command
|
||||
=========================
|
||||
|
||||
bond_style gromos/omp command
|
||||
=============================
|
||||
Accelerator Variants: *gromos/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,16 +1,12 @@
|
|||
.. index:: bond_style harmonic
|
||||
.. index:: bond_style harmonic/intel
|
||||
.. index:: bond_style harmonic/kk
|
||||
.. index:: bond_style harmonic/omp
|
||||
|
||||
bond_style harmonic command
|
||||
===========================
|
||||
|
||||
bond_style harmonic/intel command
|
||||
=================================
|
||||
|
||||
bond_style harmonic/kk command
|
||||
==============================
|
||||
|
||||
bond_style harmonic/omp command
|
||||
===============================
|
||||
Accelerator Variants: *harmonic/intel*, *harmonic/kk*, *harmonic/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: bond_style harmonic/shift
|
||||
.. index:: bond_style harmonic/shift/omp
|
||||
|
||||
bond_style harmonic/shift command
|
||||
=================================
|
||||
|
||||
bond_style harmonic/shift/omp command
|
||||
=====================================
|
||||
Accelerator Variants: *harmonic/shift/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: bond_style harmonic/shift/cut
|
||||
.. index:: bond_style harmonic/shift/cut/omp
|
||||
|
||||
bond_style harmonic/shift/cut command
|
||||
=====================================
|
||||
|
||||
bond_style harmonic/shift/cut/omp command
|
||||
=========================================
|
||||
Accelerator Variants: *harmonic/shift/cut/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: bond_style morse
|
||||
.. index:: bond_style morse/omp
|
||||
|
||||
bond_style morse command
|
||||
========================
|
||||
|
||||
bond_style morse/omp command
|
||||
============================
|
||||
Accelerator Variants: *morse/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: bond_style nonlinear
|
||||
.. index:: bond_style nonlinear/omp
|
||||
|
||||
bond_style nonlinear command
|
||||
============================
|
||||
|
||||
bond_style nonlinear/omp command
|
||||
================================
|
||||
Accelerator Variants: *nonlinear/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,4 +1,6 @@
|
|||
.. index:: bond_style oxdna/fene
|
||||
.. index:: bond_style oxdna2/fene
|
||||
.. index:: bond_style oxrna2/fene
|
||||
|
||||
bond_style oxdna/fene command
|
||||
=============================
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: bond_style quartic
|
||||
.. index:: bond_style quartic/omp
|
||||
|
||||
bond_style quartic command
|
||||
==========================
|
||||
|
||||
bond_style quartic/omp command
|
||||
==============================
|
||||
Accelerator Variants: *quartic/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,7 +1,7 @@
|
|||
.. index:: bond_style special
|
||||
|
||||
bond_style special command
|
||||
=================================
|
||||
==========================
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: bond_style table
|
||||
.. index:: bond_style table/omp
|
||||
|
||||
bond_style table command
|
||||
========================
|
||||
|
||||
bond_style table/omp command
|
||||
============================
|
||||
Accelerator Variants: *table/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,4 +1,6 @@
|
|||
.. index:: compute cluster/atom
|
||||
.. index:: compute fragment/atom
|
||||
.. index:: compute aggregate/atom
|
||||
|
||||
compute cluster/atom command
|
||||
============================
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: compute coord/atom
|
||||
.. index:: compute coord/atom/kk
|
||||
|
||||
compute coord/atom command
|
||||
==========================
|
||||
|
||||
compute coord/atom/kk command
|
||||
===================================
|
||||
Accelerator Variants: *coord/atom/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,7 +1,7 @@
|
|||
.. index:: compute mesont
|
||||
|
||||
compute mesont command
|
||||
==========================
|
||||
======================
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: compute orientorder/atom
|
||||
.. index:: compute orientorder/atom/kk
|
||||
|
||||
compute orientorder/atom command
|
||||
================================
|
||||
|
||||
compute orientorder/atom/kk command
|
||||
===================================
|
||||
Accelerator Variants: *orientorder/atom/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,4 +1,5 @@
|
|||
.. index:: compute reduce
|
||||
.. index:: compute reduce/region
|
||||
|
||||
compute reduce command
|
||||
======================
|
||||
|
|
|
|||
|
|
@ -1,7 +1,7 @@
|
|||
.. index:: compute smd/ulsph/effm
|
||||
|
||||
compute smd/ulsph/effm command
|
||||
================================
|
||||
==============================
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,4 +1,7 @@
|
|||
.. index:: compute sna/atom
|
||||
.. index:: compute snad/atom
|
||||
.. index:: compute snav/atom
|
||||
.. index:: compute snap
|
||||
|
||||
compute sna/atom command
|
||||
========================
|
||||
|
|
|
|||
|
|
@ -1,7 +1,7 @@
|
|||
.. index:: compute sph/e/atom
|
||||
|
||||
compute sph/e/atom command
|
||||
===========================
|
||||
==========================
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,7 +1,7 @@
|
|||
.. index:: compute sph/rho/atom
|
||||
|
||||
compute sph/rho/atom command
|
||||
=============================
|
||||
============================
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,7 +1,7 @@
|
|||
.. index:: compute sph/t/atom
|
||||
|
||||
compute sph/t/atom command
|
||||
===========================
|
||||
==========================
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,4 +1,5 @@
|
|||
.. index:: compute stress/atom
|
||||
.. index:: compute centroid/stress/atom
|
||||
|
||||
compute stress/atom command
|
||||
===========================
|
||||
|
|
|
|||
|
|
@ -1,4 +1,5 @@
|
|||
.. index:: compute stress/mop
|
||||
.. index:: compute stress/mop/profile
|
||||
|
||||
compute stress/mop command
|
||||
==========================
|
||||
|
|
|
|||
|
|
@ -1,4 +1,8 @@
|
|||
.. index:: compute force/tally
|
||||
.. index:: compute heat/flux/tally
|
||||
.. index:: compute pe/tally
|
||||
.. index:: compute pe/mol/tally
|
||||
.. index:: compute stress/tally
|
||||
|
||||
compute force/tally command
|
||||
===========================
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: compute temp
|
||||
.. index:: compute temp/kk
|
||||
|
||||
compute temp command
|
||||
====================
|
||||
|
||||
compute temp/kk command
|
||||
=======================
|
||||
Accelerator Variants: *temp/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,16 +1,13 @@
|
|||
.. index:: dihedral_style charmm
|
||||
.. index:: dihedral_style charmm/intel
|
||||
.. index:: dihedral_style charmm/kk
|
||||
.. index:: dihedral_style charmm/omp
|
||||
.. index:: dihedral_style charmmfsw
|
||||
|
||||
dihedral_style charmm command
|
||||
=============================
|
||||
|
||||
dihedral_style charmm/intel command
|
||||
===================================
|
||||
|
||||
dihedral_style charmm/kk command
|
||||
================================
|
||||
|
||||
dihedral_style charmm/omp command
|
||||
=================================
|
||||
Accelerator Variants: *charmm/intel*, *charmm/kk*, *charmm/omp*
|
||||
|
||||
dihedral_style charmmfsw command
|
||||
================================
|
||||
|
|
|
|||
|
|
@ -1,13 +1,11 @@
|
|||
.. index:: dihedral_style class2
|
||||
.. index:: dihedral_style class2/omp
|
||||
.. index:: dihedral_style class2/kk
|
||||
|
||||
dihedral_style class2 command
|
||||
=============================
|
||||
|
||||
dihedral_style class2/omp command
|
||||
=================================
|
||||
|
||||
dihedral_style class2/kk command
|
||||
================================
|
||||
Accelerator Variants: *class2/omp*, *class2/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: dihedral_style cosine/shift/exp
|
||||
.. index:: dihedral_style cosine/shift/exp/omp
|
||||
|
||||
dihedral_style cosine/shift/exp command
|
||||
=======================================
|
||||
|
||||
dihedral_style cosine/shift/exp/omp command
|
||||
===========================================
|
||||
Accelerator Variants: *cosine/shift/exp/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,13 +1,11 @@
|
|||
.. index:: dihedral_style fourier
|
||||
.. index:: dihedral_style fourier/intel
|
||||
.. index:: dihedral_style fourier/omp
|
||||
|
||||
dihedral_style fourier command
|
||||
==============================
|
||||
|
||||
dihedral_style fourier/intel command
|
||||
====================================
|
||||
|
||||
dihedral_style fourier/omp command
|
||||
==================================
|
||||
Accelerator Variants: *fourier/intel*, *fourier/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,16 +1,12 @@
|
|||
.. index:: dihedral_style harmonic
|
||||
.. index:: dihedral_style harmonic/intel
|
||||
.. index:: dihedral_style harmonic/kk
|
||||
.. index:: dihedral_style harmonic/omp
|
||||
|
||||
dihedral_style harmonic command
|
||||
===============================
|
||||
|
||||
dihedral_style harmonic/intel command
|
||||
=====================================
|
||||
|
||||
dihedral_style harmonic/kk command
|
||||
==================================
|
||||
|
||||
dihedral_style harmonic/omp command
|
||||
===================================
|
||||
Accelerator Variants: *harmonic/intel*, *harmonic/kk*, *harmonic/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: dihedral_style helix
|
||||
.. index:: dihedral_style helix/omp
|
||||
|
||||
dihedral_style helix command
|
||||
============================
|
||||
|
||||
dihedral_style helix/omp command
|
||||
================================
|
||||
Accelerator Variants: *helix/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: dihedral_style multi/harmonic
|
||||
.. index:: dihedral_style multi/harmonic/omp
|
||||
|
||||
dihedral_style multi/harmonic command
|
||||
=====================================
|
||||
|
||||
dihedral_style multi/harmonic/omp command
|
||||
=========================================
|
||||
Accelerator Variants: *multi/harmonic/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: dihedral_style nharmonic
|
||||
.. index:: dihedral_style nharmonic/omp
|
||||
|
||||
dihedral_style nharmonic command
|
||||
=================================
|
||||
================================
|
||||
|
||||
dihedral_style nharmonic/omp command
|
||||
=====================================
|
||||
Accelerator Variants: *nharmonic/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,16 +1,12 @@
|
|||
.. index:: dihedral_style opls
|
||||
.. index:: dihedral_style opls/intel
|
||||
.. index:: dihedral_style opls/kk
|
||||
.. index:: dihedral_style opls/omp
|
||||
|
||||
dihedral_style opls command
|
||||
===========================
|
||||
|
||||
dihedral_style opls/intel command
|
||||
=================================
|
||||
|
||||
dihedral_style opls/kk command
|
||||
==============================
|
||||
|
||||
dihedral_style opls/omp command
|
||||
===============================
|
||||
Accelerator Variants: *opls/intel*, *opls/kk*, *opls/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: dihedral_style quadratic
|
||||
.. index:: dihedral_style quadratic/omp
|
||||
|
||||
dihedral_style quadratic command
|
||||
================================
|
||||
|
||||
dihedral_style quadratic/omp command
|
||||
====================================
|
||||
Accelerator Variants: *quadratic/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: dihedral_style table
|
||||
.. index:: dihedral_style table/omp
|
||||
|
||||
dihedral_style table command
|
||||
============================
|
||||
|
||||
dihedral_style table/omp command
|
||||
================================
|
||||
Accelerator Variants: *table/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,7 +1,7 @@
|
|||
.. index:: dihedral_style zero
|
||||
|
||||
dihedral_style zero command
|
||||
============================
|
||||
===========================
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,4 +1,5 @@
|
|||
.. index:: fix ave/histo
|
||||
.. index:: fix ave/histo/weight
|
||||
|
||||
fix ave/histo command
|
||||
=====================
|
||||
|
|
|
|||
|
|
@ -1,4 +1,5 @@
|
|||
.. index:: fix bond/create
|
||||
.. index:: fix bond/create/angle
|
||||
|
||||
fix bond/create command
|
||||
=======================
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix deform
|
||||
.. index:: fix deform/kk
|
||||
|
||||
fix deform command
|
||||
==================
|
||||
|
||||
fix deform/kk command
|
||||
=====================
|
||||
Accelerator Variants: *deform/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix dpd/energy
|
||||
.. index:: fix dpd/energy/kk
|
||||
|
||||
fix dpd/energy command
|
||||
======================
|
||||
|
||||
fix dpd/energy/kk command
|
||||
=========================
|
||||
Accelerator Variants: *dpd/energy/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,4 +1,5 @@
|
|||
.. index:: fix edpd/source
|
||||
.. index:: fix tdpd/source
|
||||
|
||||
fix edpd/source command
|
||||
=======================
|
||||
|
|
|
|||
|
|
@ -1,4 +1,5 @@
|
|||
.. index:: fix drude/transform/direct
|
||||
.. index:: fix drude/transform/inverse
|
||||
|
||||
fix drude/transform/direct command
|
||||
==================================
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix enforce2d
|
||||
.. index:: fix enforce2d/kk
|
||||
|
||||
fix enforce2d command
|
||||
=====================
|
||||
|
||||
fix enforce2d/kk command
|
||||
========================
|
||||
Accelerator Variants: *enforce2d/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix eos/table/rx
|
||||
.. index:: fix eos/table/rx/kk
|
||||
|
||||
fix eos/table/rx command
|
||||
========================
|
||||
|
||||
fix eos/table/rx/kk command
|
||||
===========================
|
||||
Accelerator Variants: *eos/table/rx/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix freeze
|
||||
.. index:: fix freeze/kk
|
||||
|
||||
fix freeze command
|
||||
==================
|
||||
|
||||
fix freeze/kk command
|
||||
=====================
|
||||
Accelerator Variants: *freeze/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,13 +1,11 @@
|
|||
.. index:: fix gravity
|
||||
.. index:: fix gravity/omp
|
||||
.. index:: fix gravity/kk
|
||||
|
||||
fix gravity command
|
||||
===================
|
||||
|
||||
fix gravity/omp command
|
||||
=======================
|
||||
|
||||
fix gravity/kk command
|
||||
======================
|
||||
Accelerator Variants: *gravity/omp*, *gravity/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix langevin
|
||||
.. index:: fix langevin/kk
|
||||
|
||||
fix langevin command
|
||||
====================
|
||||
|
||||
fix langevin/kk command
|
||||
=======================
|
||||
Accelerator Variants: *langevin/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,11 @@
|
|||
.. index:: fix momentum
|
||||
.. index:: fix momentum/kk
|
||||
.. index:: fix momentum/chunk
|
||||
|
||||
fix momentum command
|
||||
====================
|
||||
|
||||
fix momentum/kk command
|
||||
=======================
|
||||
Accelerator Variants: *momentum/kk*
|
||||
|
||||
fix momentum/chunk command
|
||||
==========================
|
||||
|
|
|
|||
|
|
@ -1,4 +1,6 @@
|
|||
.. index:: fix mvv/dpd
|
||||
.. index:: fix mvv/edpd
|
||||
.. index:: fix mvv/tdpd
|
||||
|
||||
fix mvv/dpd command
|
||||
===================
|
||||
|
|
|
|||
|
|
@ -1,37 +1,29 @@
|
|||
.. index:: fix nvt
|
||||
.. index:: fix nvt/intel
|
||||
.. index:: fix nvt/kk
|
||||
.. index:: fix nvt/omp
|
||||
.. index:: fix npt
|
||||
.. index:: fix npt/intel
|
||||
.. index:: fix npt/kk
|
||||
.. index:: fix npt/omp
|
||||
.. index:: fix nph
|
||||
.. index:: fix nph/kk
|
||||
.. index:: fix nph/omp
|
||||
|
||||
fix nvt command
|
||||
===============
|
||||
|
||||
fix nvt/intel command
|
||||
=====================
|
||||
|
||||
fix nvt/kk command
|
||||
==================
|
||||
|
||||
fix nvt/omp command
|
||||
===================
|
||||
Accelerator Variants: *nvt/intel*, *nvt/kk*, *nvt/omp*
|
||||
|
||||
fix npt command
|
||||
===============
|
||||
|
||||
fix npt/intel command
|
||||
=====================
|
||||
|
||||
fix npt/kk command
|
||||
==================
|
||||
|
||||
fix npt/omp command
|
||||
===================
|
||||
Accelerator Variants: *npt/intel*, *npt/kk*, *npt/omp*
|
||||
|
||||
fix nph command
|
||||
===============
|
||||
|
||||
fix nph/kk command
|
||||
==================
|
||||
|
||||
fix nph/omp command
|
||||
===================
|
||||
Accelerator Variants: *nph/kk*, *nph/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,4 +1,6 @@
|
|||
.. index:: fix nvt/eff
|
||||
.. index:: fix npt/eff
|
||||
.. index:: fix nph/eff
|
||||
|
||||
fix nvt/eff command
|
||||
===================
|
||||
|
|
|
|||
|
|
@ -1,4 +1,5 @@
|
|||
.. index:: fix nvt/uef
|
||||
.. index:: fix npt/uef
|
||||
|
||||
fix nvt/uef command
|
||||
===================
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix nph/asphere
|
||||
.. index:: fix nph/asphere/omp
|
||||
|
||||
fix nph/asphere command
|
||||
=======================
|
||||
|
||||
fix nph/asphere/omp command
|
||||
===========================
|
||||
Accelerator Variants: *nph/asphere/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix nph/sphere
|
||||
.. index:: fix nph/sphere/omp
|
||||
|
||||
fix nph/sphere command
|
||||
======================
|
||||
|
||||
fix nph/sphere/omp command
|
||||
==========================
|
||||
Accelerator Variants: *nph/sphere/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix nphug
|
||||
.. index:: fix nphug/omp
|
||||
|
||||
fix nphug command
|
||||
=================
|
||||
|
||||
fix nphug/omp command
|
||||
=====================
|
||||
Accelerator Variants: *nphug/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix npt/asphere
|
||||
.. index:: fix npt/asphere/omp
|
||||
|
||||
fix npt/asphere command
|
||||
=======================
|
||||
|
||||
fix npt/asphere/omp command
|
||||
===========================
|
||||
Accelerator Variants: *npt/asphere/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix npt/sphere
|
||||
.. index:: fix npt/sphere/omp
|
||||
|
||||
fix npt/sphere command
|
||||
======================
|
||||
|
||||
fix npt/sphere/omp command
|
||||
==========================
|
||||
Accelerator Variants: *npt/sphere/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,7 +1,7 @@
|
|||
.. index:: fix numdiff
|
||||
|
||||
fix numdiff command
|
||||
====================
|
||||
===================
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,16 +1,12 @@
|
|||
.. index:: fix nve
|
||||
.. index:: fix nve/intel
|
||||
.. index:: fix nve/kk
|
||||
.. index:: fix nve/omp
|
||||
|
||||
fix nve command
|
||||
===============
|
||||
|
||||
fix nve/intel command
|
||||
=====================
|
||||
|
||||
fix nve/kk command
|
||||
==================
|
||||
|
||||
fix nve/omp command
|
||||
===================
|
||||
Accelerator Variants: *nve/intel*, *nve/kk*, *nve/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix nve/asphere
|
||||
.. index:: fix nve/asphere/intel
|
||||
|
||||
fix nve/asphere command
|
||||
=======================
|
||||
|
||||
fix nve/asphere/intel command
|
||||
=============================
|
||||
Accelerator Variants: *nve/asphere/intel*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,13 +1,11 @@
|
|||
.. index:: fix nve/sphere
|
||||
.. index:: fix nve/sphere/omp
|
||||
.. index:: fix nve/sphere/kk
|
||||
|
||||
fix nve/sphere command
|
||||
======================
|
||||
|
||||
fix nve/sphere/omp command
|
||||
==========================
|
||||
|
||||
fix nve/sphere/kk command
|
||||
=========================
|
||||
Accelerator Variants: *nve/sphere/omp*, *nve/sphere/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix nvt/asphere
|
||||
.. index:: fix nvt/asphere/omp
|
||||
|
||||
fix nvt/asphere command
|
||||
=======================
|
||||
|
||||
fix nvt/asphere/omp command
|
||||
===========================
|
||||
Accelerator Variants: *nvt/asphere/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,13 +1,11 @@
|
|||
.. index:: fix nvt/sllod
|
||||
.. index:: fix nvt/sllod/intel
|
||||
.. index:: fix nvt/sllod/omp
|
||||
|
||||
fix nvt/sllod command
|
||||
=====================
|
||||
|
||||
fix nvt/sllod/intel command
|
||||
===========================
|
||||
|
||||
fix nvt/sllod/omp command
|
||||
=========================
|
||||
Accelerator Variants: *nvt/sllod/intel*, *nvt/sllod/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix nvt/sphere
|
||||
.. index:: fix nvt/sphere/omp
|
||||
|
||||
fix nvt/sphere command
|
||||
======================
|
||||
|
||||
fix nvt/sphere/omp command
|
||||
==========================
|
||||
Accelerator Variants: *nvt/sphere/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,4 +1,5 @@
|
|||
.. index:: fix orient/fcc
|
||||
.. index:: fix orient/bcc
|
||||
|
||||
fix orient/fcc command
|
||||
======================
|
||||
|
|
|
|||
|
|
@ -1,4 +1,4 @@
|
|||
.. index:: fix orient/eco
|
||||
.. index:: fix orient/eco
|
||||
|
||||
fix orient/eco command
|
||||
======================
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix property/atom
|
||||
.. index:: fix property/atom/kk
|
||||
|
||||
fix property/atom command
|
||||
=========================
|
||||
|
||||
fix property/atom/kk command
|
||||
============================
|
||||
Accelerator Variants: *property/atom/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,4 +1,8 @@
|
|||
.. index:: fix qeq/point
|
||||
.. index:: fix qeq/shielded
|
||||
.. index:: fix qeq/slater
|
||||
.. index:: fix qeq/dynamic
|
||||
.. index:: fix qeq/fire
|
||||
|
||||
fix qeq/point command
|
||||
=====================
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix qeq/comb
|
||||
.. index:: fix qeq/comb/omp
|
||||
|
||||
fix qeq/comb command
|
||||
====================
|
||||
|
||||
fix qeq/comb/omp command
|
||||
========================
|
||||
Accelerator Variants: *qeq/comb/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,13 +1,11 @@
|
|||
.. index:: fix qeq/reax
|
||||
.. index:: fix qeq/reax/kk
|
||||
.. index:: fix qeq/reax/omp
|
||||
|
||||
fix qeq/reax command
|
||||
====================
|
||||
|
||||
fix qeq/reax/kk command
|
||||
=======================
|
||||
|
||||
fix qeq/reax/omp command
|
||||
========================
|
||||
Accelerator Variants: *qeq/reax/kk*, *qeq/reax/omp*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix reax/c/bonds
|
||||
.. index:: fix reax/c/bonds/kk
|
||||
|
||||
fix reax/c/bonds command
|
||||
========================
|
||||
|
||||
fix reax/c/bonds/kk command
|
||||
===========================
|
||||
Accelerator Variants: *reax/c/bonds/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix reax/c/species
|
||||
.. index:: fix reax/c/species/kk
|
||||
|
||||
fix reax/c/species command
|
||||
==========================
|
||||
|
||||
fix reax/c/species/kk command
|
||||
=============================
|
||||
Accelerator Variants: *reax/c/species/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,40 +1,49 @@
|
|||
.. index:: fix rigid
|
||||
.. index:: fix rigid/omp
|
||||
.. index:: fix rigid/nve
|
||||
.. index:: fix rigid/nve/omp
|
||||
.. index:: fix rigid/nvt
|
||||
.. index:: fix rigid/nvt/omp
|
||||
.. index:: fix rigid/npt
|
||||
.. index:: fix rigid/npt/omp
|
||||
.. index:: fix rigid/nph
|
||||
.. index:: fix rigid/nph/omp
|
||||
.. index:: fix rigid/small
|
||||
.. index:: fix rigid/small/omp
|
||||
.. index:: fix rigid/nve/small
|
||||
.. index:: fix rigid/nvt/small
|
||||
.. index:: fix rigid/npt/small
|
||||
.. index:: fix rigid/nph/small
|
||||
|
||||
fix rigid command
|
||||
=================
|
||||
|
||||
fix rigid/omp command
|
||||
=====================
|
||||
Accelerator Variants: *rigid/omp*
|
||||
|
||||
fix rigid/nve command
|
||||
=====================
|
||||
|
||||
fix rigid/nve/omp command
|
||||
=========================
|
||||
Accelerator Variants: *rigid/nve/omp*
|
||||
|
||||
fix rigid/nvt command
|
||||
=====================
|
||||
|
||||
fix rigid/nvt/omp command
|
||||
=========================
|
||||
Accelerator Variants: *rigid/nvt/omp*
|
||||
|
||||
fix rigid/npt command
|
||||
=====================
|
||||
|
||||
fix rigid/npt/omp command
|
||||
=========================
|
||||
Accelerator Variants: *rigid/npt/omp*
|
||||
|
||||
fix rigid/nph command
|
||||
=====================
|
||||
|
||||
fix rigid/nph/omp command
|
||||
=========================
|
||||
Accelerator Variants: *rigid/nph/omp*
|
||||
|
||||
fix rigid/small command
|
||||
=======================
|
||||
|
||||
fix rigid/small/omp command
|
||||
===========================
|
||||
Accelerator Variants: *rigid/small/omp*
|
||||
|
||||
fix rigid/nve/small command
|
||||
===========================
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix rx
|
||||
.. index:: fix rx/kk
|
||||
|
||||
fix rx command
|
||||
==============
|
||||
|
||||
fix rx/kk command
|
||||
=================
|
||||
Accelerator Variants: *rx/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
|
|
@ -1,10 +1,11 @@
|
|||
.. index:: fix setforce
|
||||
.. index:: fix setforce/kk
|
||||
.. index:: fix setforce/spin
|
||||
|
||||
fix setforce command
|
||||
====================
|
||||
|
||||
fix setforce/kk command
|
||||
=======================
|
||||
Accelerator Variants: *setforce/kk*
|
||||
|
||||
fix setforce/spin command
|
||||
=========================
|
||||
|
|
|
|||
|
|
@ -1,4 +1,5 @@
|
|||
.. index:: fix shake
|
||||
.. index:: fix rattle
|
||||
|
||||
fix shake command
|
||||
=================
|
||||
|
|
|
|||
|
|
@ -1,10 +1,10 @@
|
|||
.. index:: fix shardlow
|
||||
.. index:: fix shardlow/kk
|
||||
|
||||
fix shardlow command
|
||||
====================
|
||||
|
||||
fix shardlow/kk command
|
||||
=======================
|
||||
Accelerator Variants: *shardlow/kk*
|
||||
|
||||
Syntax
|
||||
""""""
|
||||
|
|
|
|||
Some files were not shown because too many files have changed in this diff Show More
Loading…
Reference in New Issue