paulatto 9e337f3ba9 New code to compute total energy and phonons in 2D materials by enforcing 2D periodic boundary conditions. Inter-layer Coulomb interaction is truncated. Vacuum space need to be larger than the layer size. Also check phonon example17 and input documentation. ... Developed by Thibault Sohier, Matteo Calandra, Francesco Mauri git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13952 c92efa57-630b-4861-b058-cf58834340f0		2017-10-25 10:40:59 +00:00
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Makefile	Fletcher-32 checksum implemented in clib/fletcher32.c	2017-09-03 15:01:51 +00:00
c_mkdir.c	More cleanup with timing routines, see Doc/release-notes for explanations	2017-07-15 20:33:50 +00:00
copy.c	l1 is an unsigned int: it cannot be negative, error is signaled by it being == 0	2013-04-09 13:44:09 +00:00
cptimer.c	Re-installed some minor changes to C and timing functions, aimed towards	2017-07-27 17:26:36 +00:00
customize_signals.c	Small change on previous commit: apparently (i.e. according to documentation) LoadLeveler send a SIGXCPU after soft_wall is reached and SIGKILL when har_wall is reached. I've added trapping of SIGXCPU.	2014-06-04 14:23:19 +00:00
eval_infix.c	Re-installed some minor changes to C and timing functions, aimed towards	2017-07-27 17:26:36 +00:00
fletcher32.c	no need for a portable stdint... normal stdint.h should work	2017-09-05 01:23:37 +00:00
make.depend	New code to compute total energy and phonons in 2D materials by enforcing 2D periodic boundary conditions. Inter-layer Coulomb interaction is truncated. Vacuum space need to be larger than the layer size. Also check phonon example17 and input documentation.	2017-10-25 10:40:59 +00:00
md5.c	adding a few routines needed to calculate md5 checksum of a given file.	2010-08-13 10:50:08 +00:00
md5.h	adding a few routines needed to calculate md5 checksum of a given file.	2010-08-13 10:50:08 +00:00
md5_from_file.c	Re-installed some minor changes to C and timing functions, aimed towards	2017-07-27 17:26:36 +00:00
memstat.c	Some more minor C-fortran cleanup	2017-07-18 17:35:40 +00:00
ptrace.c	F77_FUNC wrapper for C routines deleted with all associated configure machinery.	2017-07-28 13:55:26 +00:00
qmmm_aux.c	F77_FUNC wrapper for C routines deleted with all associated configure machinery.	2017-07-28 13:55:26 +00:00
qsort.c	Small fixes for unitialized variables and questionable constructs,	2013-11-05 14:35:41 +00:00
sockets.c	Added interface with PALENQUE. Following the traditional logic (or lack of it)	2016-08-24 19:54:34 +00:00
stack.c	Re-installed some minor changes to C and timing functions, aimed towards	2017-07-27 17:26:36 +00:00