Merge pull request #1962 from rbberger/small_fixes (91c1ae80) · Commits · 郑智淋 / lammps

doc/src/Howto_bash.rst

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		@@ -12,6 +12,10 @@ via apt-get and all files are accessible in both the Windows Explorer and your
		Linux shell (bash). This avoids switching to a different operating system or
		installing a virtual machine. Everything runs on Windows.

		.. seealso::

		You can find more detailed information at the `Windows Subsystem for Linux Installation Guide for Windows 10 <https://docs.microsoft.com/en-us/windows/wsl/install-win10>`_.

		Installing Bash on Windows
		--------------------------

		@@ -103,7 +107,7 @@ needed for various LAMMPS features:

		.. code-block:: bash

		sudo apt install -y build-essential ccache gfortran openmpi-bin libopenmpi-dev libfftw3-dev libjpeg-dev libpng12-dev python-dev python-virtualenv libblas-dev liblapack-dev libhdf5-serial-dev hdf5-tools
		sudo apt install -y build-essential ccache gfortran openmpi-bin libopenmpi-dev libfftw3-dev libjpeg-dev libpng-dev python-dev python-virtualenv libblas-dev liblapack-dev libhdf5-serial-dev hdf5-tools

		Files in Ubuntu on Windows
		^^^^^^^^^^^^^^^^^^^^^^^^^^

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		@@ -2920,7 +2920,7 @@ void MSM::compute_phis_and_dphis(const double &dx, const double &dy,

		/* ----------------------------------------------------------------------
		compute phi using interpolating polynomial
		see Eq 7 from Parallel Computing 35 (2009) 164177
		see Eq 7 from Parallel Computing 35 (2009) 164-177
		and Hardy's thesis
		------------------------------------------------------------------------- */

		@@ -2999,7 +2999,7 @@ inline double MSM::compute_phi(const double &xi)
		/* ----------------------------------------------------------------------
		compute the derivative of phi
		phi is an interpolating polynomial
		see Eq 7 from Parallel Computing 35 (2009) 164177
		see Eq 7 from Parallel Computing 35 (2009) 164-177
		and Hardy's thesis
		------------------------------------------------------------------------- */

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		@@ -12,7 +12,7 @@
		------------------------------------------------------------------------- */

		/* ----------------------------------------------------------------------
		Contributing author: Markus Hhnerbach (RWTH)
		Contributing author: Markus Höhnerbach (RWTH)
		------------------------------------------------------------------------- */

		#include <cmath>

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		@@ -13,7 +13,7 @@

		/* ----------------------------------------------------------------------
		The SMTBQ code has been developed with the financial support of CNRS and
		of the Regional Council of Burgundy (Convention n 2010-9201AAO037S03129)
		of the Regional Council of Burgundy (Convention n¡ 2010-9201AAO037S03129)

		Copyright (2015)
		Universite de Bourgogne : Nicolas SALLES, Olivier POLITANO
		@@ -943,7 +943,7 @@ void PairSMTBQ::compute(int eflag, int vflag)
		3 -> Short int. Ox-Ox
		4 -> Short int. SMTB (repulsion)
		5 -> Covalent energy SMTB
		6 -> Somme des Q(i)
		6 -> Somme des Q(i)²
		------------------------------------------------------------------------- */

		/* -------------- N-body forces Calcul --------------- */
		@@ -3022,7 +3022,7 @@ void PairSMTBQ::groupQEqAllParallel_QEq()

		ngp = igp = 0; nelt[ngp] = 0;

		// On prend un oxygne
		// On prend un oxygène
		// printf ("[me %d] On prend un oxygene\n",me);

		for (ii = 0; ii < inum; ii++) {