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lammps/lib/linalg
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Axel Kohlmeyer c5a87f75d6 convert linalg library from Fortran to C++
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fortran
convert linalg library from Fortran to C++
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static
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convert.sh
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dasum.cpp
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daxpy.cpp
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dbdsqr.cpp
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dcabs1.cpp
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dcopy.cpp
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ddot.cpp
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dgebd2.cpp
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dgebrd.cpp
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dgecon.cpp
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dgelq2.cpp
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dgelqf.cpp
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dgelsd.cpp
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dgelss.cpp
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dgemm.cpp
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dgemv.cpp
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dgeqr2.cpp
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dgeqrf.cpp
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dger.cpp
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dgesv.cpp
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dgesvd.cpp
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dgetf2.cpp
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dgetrf2.cpp
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dgetrf.cpp
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dgetri.cpp
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dgetrs.cpp
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disnan.cpp
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dlabad.cpp
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dlabrd.cpp
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dlacn2.cpp
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dlacpy.cpp
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dladiv.cpp
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dlae2.cpp
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dlaed0.cpp
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dlaed1.cpp
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dlaed2.cpp
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dlaed3.cpp
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dlaed4.cpp
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dlaed5.cpp
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dlaed6.cpp
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dlaed7.cpp
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dlaed8.cpp
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dlaed9.cpp
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dlaeda.cpp
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dlaev2.cpp
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dlals0.cpp
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dlalsa.cpp
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dlalsd.cpp
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dlamch.cpp
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dlamrg.cpp
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dlange.cpp
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dlanst.cpp
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dlansy.cpp
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dlapy2.cpp
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dlapy3.cpp
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dlarf.cpp
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dlarfb.cpp
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dlarfg.cpp
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dlarft.cpp
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dlartg.cpp
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dlas2.cpp
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dlascl.cpp
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dlasd4.cpp
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dlasd5.cpp
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dlasd6.cpp
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dlasd7.cpp
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dlasd8.cpp
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dlasda.cpp
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dlasdq.cpp
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dlasdt.cpp
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dlaset.cpp
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dlasq1.cpp
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dlasq2.cpp
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dlasq3.cpp
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dlasq4.cpp
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dlasq5.cpp
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dlasq6.cpp
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dlasr.cpp
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dlasrt.cpp
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dlassq.cpp
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dlasv2.cpp
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dlaswp.cpp
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dlatrd.cpp
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dlatrs.cpp
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dnrm2.cpp
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dorg2l.cpp
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dorg2r.cpp
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dorgbr.cpp
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dorgl2.cpp
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dorglq.cpp
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dorgql.cpp
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dorgqr.cpp
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dorgtr.cpp
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dorm2l.cpp
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dorm2r.cpp
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dormbr.cpp
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dorml2.cpp
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dormlq.cpp
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dormql.cpp
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dormqr.cpp
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dormtr.cpp
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dposv.cpp
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dpotf2.cpp
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dpotrf2.cpp
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dpotrf.cpp
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dpotrs.cpp
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drot.cpp
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drscl.cpp
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dscal.cpp
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dstedc.cpp
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dsteqr.cpp
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dsterf.cpp
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dswap.cpp
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dsyev.cpp
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dsyevd.cpp
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dsygs2.cpp
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dsygst.cpp
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dsygv.cpp
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dsygvd.cpp
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dsymm.cpp
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dsymv.cpp
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dsyr2.cpp
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dsyr2k.cpp
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dsyrk.cpp
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dsytd2.cpp
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dsytrd.cpp
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dtrmm.cpp
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dtrmv.cpp
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dtrsm.cpp
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dtrsv.cpp
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dtrti2.cpp
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dtrtri.cpp
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dznrm2.cpp
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idamax.cpp
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ieeeck.cpp
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iladlc.cpp
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iladlr.cpp
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ilaenv.cpp
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ilazlc.cpp
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ilazlr.cpp
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Install.py
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iparmq.cpp
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lmp_f2c.h
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lsame.cpp
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Makefile.g++
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Makefile.mpi
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Makefile.serial
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README
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xerbla.cpp
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zaxpy.cpp
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zcopy.cpp
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zdotc.cpp
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zdrot.cpp
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zdscal.cpp
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zgemm.cpp
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zgemv.cpp
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zgerc.cpp
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zheev.cpp
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zheevd.cpp
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zhemv.cpp
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zher2.cpp
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zher2k.cpp
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zhetd2.cpp
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zhetrd.cpp
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zhpr.cpp
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zlacgv.cpp
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zlacpy.cpp
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zlacrm.cpp
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zladiv.cpp
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zlaed0.cpp
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zlaed7.cpp
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zlaed8.cpp
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zlanhe.cpp
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zlarf.cpp
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zlarfb.cpp
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zlarfg.cpp
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zlarft.cpp
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zlascl.cpp
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zlaset.cpp
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zlasr.cpp
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zlassq.cpp
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zlatrd.cpp
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zpptrf.cpp
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zpptri.cpp
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zscal.cpp
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zstedc.cpp
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zsteqr.cpp
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zswap.cpp
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ztpmv.cpp
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ztpsv.cpp
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ztptri.cpp
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ztrmm.cpp
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ztrmv.cpp
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zung2l.cpp
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zung2r.cpp
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zungl2.cpp
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zungql.cpp
convert linalg library from Fortran to C++
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zungqr.cpp
convert linalg library from Fortran to C++
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zungtr.cpp
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zunm2l.cpp
convert linalg library from Fortran to C++
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zunm2r.cpp
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zunmql.cpp
convert linalg library from Fortran to C++
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zunmqr.cpp
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zunmtr.cpp
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README 

This directory has generic BLAS and LAPACK source files needed by the
ATC, AWPMD, ELECTRODE, LATTE, and ML-POD packages (and possibly by other
packages) in the future that can be used instead of platform or vendor
optimized BLAS/LAPACK library.

Note that this is an *incomplete* subset of full BLAS/LAPACK.

The files correspond to LAPACK version 3.11.0.

You should only need to build and use the library in this directory if
you want to build LAMMPS with one of the listed packages AND you do not
have any other suitable BLAS and LAPACK libraries installed on your
system (like ATLAS, GOTO-BLAS, OpenBLAS, ACML, MKL and so on).

You can type "make lib-linalg" from the src directory to see help on
how to build this library via make commands, or you can do the same
thing by typing "python Install.py" from within this directory, or you
can do it manually by following the instructions below.

Build the library using one of the provided Makefile.* files or create
your own, specific to your compiler and system.  For example:

make -f Makefile.gfortran

When you are done building this library, one file should exist in this
directory:

liblinalg.a		the library LAMMPS will link against

You can then include this library and its path in the Makefile.lammps
file of any packages that need it.  As an example, see the
lib/atc/Makefile.lammps.linalg file.