cavazzon
4455df25ab
fpmd.h merged with machine.h and eliminated
...
use of machine.h extended to CPV in place of compiler macro
other minor changes
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@79 c92efa57-630b-4861-b058-cf58834340f0
2003-02-16 15:16:33 +00:00
cavazzon
6485045722
1) directory flib now contains only commons general pourpose subroutines,
...
all FPMD related subs moved back to FPMD directory.
2) All Make.fpmd... merged with Make.cp... and removed.
3) "use parameter .." added to all cft_3 subroutines .
4) hpsort.f90 erf.f90 simpson.f90 moved to flib .
everything seem to compile fine,
at least on IBM
carlo
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@67 c92efa57-630b-4861-b058-cf58834340f0
2003-02-13 23:10:25 +00:00
cavazzon
aa8d833a4f
- new common module "cell_base.f90" containing basic
...
types and subroutines related to the simulation cell
carlo
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@63 c92efa57-630b-4861-b058-cf58834340f0
2003-02-11 23:19:35 +00:00
cavazzon
7aeee66c55
- more comments, docs and examples
...
carlo
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@48 c92efa57-630b-4861-b058-cf58834340f0
2003-02-03 08:32:06 +00:00
giannozz
d6ba3a9877
ancora makefiles...
...
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@40 c92efa57-630b-4861-b058-cf58834340f0
2003-01-29 14:32:18 +00:00
giannozz
43433b42cd
Manuale, dynmat.f90, copyright, misc
...
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@29 c92efa57-630b-4861-b058-cf58834340f0
2003-01-28 12:28:11 +00:00
cavazzon
6c205ec03a
- variable gamma_only added to restart file
...
- Make.fpmd.lnx.pgi compatible with cpv
- fix for PW/scnds.f90 with PGI compiler
carlo
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@27 c92efa57-630b-4861-b058-cf58834340f0
2003-01-27 23:07:52 +00:00
cavazzon
15dd1c757c
- many small changes ( comments and standartd output layout )
...
- some new pseudo
- some new cp_examples
- NEW shared module constants, this is the merge of FPMD and PW constants module
- NEW fpmd2upf pseudo converter (from fpmd format to upf )
carlo
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@22 c92efa57-630b-4861-b058-cf58834340f0
2003-01-26 22:39:33 +00:00
giannozz
99d3a31e2e
Makefiles modified to work if some directory is missing
...
INSTALL file added, pwdocs/INSTALL.obsolete obsoleted,
README worth reading, misc. cleaning
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@20 c92efa57-630b-4861-b058-cf58834340f0
2003-01-25 18:05:41 +00:00
cavazzon
c332002b1f
- small bug fix
...
carlo
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10 c92efa57-630b-4861-b058-cf58834340f0
2003-01-22 11:37:19 +00:00
giannozz
ac9f2144c0
O-sesame
...
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0
2003-01-19 21:58:50 +00:00