Commit Graph

9 Commits

Author SHA1 Message Date
giannozz 881fac18e1 Removed a few comments in C++ style (//). Some old compilers might complain.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6318 c92efa57-630b-4861-b058-cf58834340f0
2010-01-26 14:06:59 +00:00
dalcorso 37fc952f13 ctrl+M removed.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5544 c92efa57-630b-4861-b058-cf58834340f0
2009-05-01 13:41:10 +00:00
kokalj 721f0716d5 Fixing an overflow bug:
for(i=0;i-len-1;i++) strHelper[i]=' '

This was probably a typo and i<len-1 was meant.
This overflow bug had a very severe consequence on one of my
machine: all negative values were parsed as being positive.

Adding a check that a maximum size of len is 256, and also the length
of strHelper/strError strings changed to 257, or the last char in
strExpression was eaten. For more detailes see the file.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5517 c92efa57-630b-4861-b058-cf58834340f0
2009-04-10 11:20:32 +00:00
ccavazzoni 8a2f375337 - char array (string) substituted with int array, name of function
modified with the addition of _int suffix


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5503 c92efa57-630b-4861-b058-cf58834340f0
2009-04-05 07:51:20 +00:00
paulatto 31b7791b9a Simple espressions parser re-inroduced in code for atomic positions and
occupations. Added two very simple tests to check it. Not yet implemented
for NEB path selection.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5060 c92efa57-630b-4861-b058-cf58834340f0
2008-07-22 12:40:51 +00:00
giannozz d861e85d7e Incorrect definition of function eval_infix (in)fixed:
F77_FUNC (func,FUNC) for functions without underscore(s) in name
F77_FUNC_(f_nc,F_NC) for functions with    underscore(s) in name


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5043 c92efa57-630b-4861-b058-cf58834340f0
2008-07-06 19:52:39 +00:00
paulatto e93f86fcac reverting smal fix...
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5042 c92efa57-630b-4861-b058-cf58834340f0
2008-07-03 15:09:19 +00:00
paulatto fee201dd0a Mini fix.
LP


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5041 c92efa57-630b-4861-b058-cf58834340f0
2008-07-03 14:47:16 +00:00
paulatto d7ee6d1899 Adding a simple mathematical expression parser written in C and the necessary
wrapper and functions to allow the input of atomic coordinates.
The author of the parser is Vincenzo Lo Cicero who I wish to thank.

PLEASE READ THIS PARAGRAPH:
fortran strings and c strings are different in very subtle ways, thus I am
far from sure that it will work with all compiler. Please try this patch
on you system and report to me if it's giving strange problems!

The parser understands only +, -, *, / and ^ (power), which is more than
enough for out purposes.

At the moment a single card must not contain spaces, e.g. the following line
is correct:
 Si 1/4 1/4 1/4
while the following would return an error:
 Si 1 / 4  1 / 4   1 / 4
this can be improved, but I have not time now.

Additional colums are NOT parsed.

LICENCE:
The parser is copyrighted by Vincenzo Lo Cicero, originally released
under the GPL v3 licence has been relicenced under the GPL v2 in order
to be included in the Quantum-ESPRESSO code.

The author permission has been expressed in the following way by email:
``Per me va bene. Potete includere il codice nel vostro
software sotto licenza GPLv2.''


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5040 c92efa57-630b-4861-b058-cf58834340f0
2008-07-03 14:30:52 +00:00