ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14775 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2016-03-22 13:43:01 +00:00
parent b4abf2abd2
commit 361ed36bed
1 changed files with 9 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

10
lib/quip/README
View File

@ -40,6 +40,12 @@ directory, build/${QUIP_ARCH}, and all the building will happen
there. First it will ask you some questions about where you keep
libraries and other stuff.
Please note: if you are building QUIP to link it to LAMMPS, the serial version
of QUIP must be compiled. For example, QUIP_ARCH may be:
darwin_x86_64_gfortran
linux_x86_64_gfortran
linux_x86_64_ifort_icc etc.
If you don't use something it is asking for, just leave it blank. NB
make sure to answer `y' to `Do you want to compile with GAP prediction
support ? [y/n]'. The answers will be stored in Makefile.inc in the
@ -80,4 +86,6 @@ $ make yes-user-quip
this to benchmark that the interface is working correctly.
- a set of input files to demonstrate how GAP potentials are specified
in a LAMMPS input file to run a short MD.
in a LAMMPS input file to run a short MD. The GAP parameter file
gap_example.xml is intended for TESTING purposes only. Potentials can be
downloaded from http://www.libatoms.org or obtained from the authors of QUIP.