quantum-espresso

Commit Graph

Author	SHA1	Message	Date
giannozz	8238d74754	Auxiliary tool "dist.x" merged into pw.x. There is no longer an executable "dist.x" but a link to pw.x. The code figures out what to do. May be useful as well as "dry run", to check that everything is correct in input. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13426 c92efa57-630b-4861-b058-cf58834340f0	2017-03-22 14:16:08 +00:00
paulatto	b5f0d1361b	Added a tool to convert ibrav/celldm to lattice vectors (not so useful) and another to convert the lattice vectors (in bohr or angstrom) to ibrav/celldm Added documentation, sort of, for all the tools (README) Does anybody know if bs.awk and mv.awk are used for anything, or can understand what they do? git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13419 c92efa57-630b-4861-b058-cf58834340f0	2017-03-21 21:29:27 +00:00

Author

SHA1

Message

Date

giannozz

8238d74754

Auxiliary tool "dist.x" merged into pw.x. There is no longer an executable

"dist.x" but a link to pw.x. The code figures out what to do. May be useful
as well as "dry run", to check that everything is correct in input.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13426 c92efa57-630b-4861-b058-cf58834340f0

2017-03-22 14:16:08 +00:00

paulatto

b5f0d1361b

Added a tool to convert ibrav/celldm to lattice vectors (not so useful) and another to convert the lattice vectors (in bohr or angstrom) to ibrav/celldm

Added documentation, sort of, for all the tools (README)

Does anybody know if bs.awk and mv.awk are used for anything, or can understand what they do?



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13419 c92efa57-630b-4861-b058-cf58834340f0

2017-03-21 21:29:27 +00:00

2 Commits