scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
3,236 Commits 5 Branches 40 Tags 1.8 GiB
Commit Graph

13 Commits

Author SHA1 Message Date
giannozz 0fcf853783 Last updates to the examples 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3245 c92efa57-630b-4861-b058-cf58834340f0
 2006-07-06 12:50:52 +00:00
degironc f7570e274c example25 (LDA+U) slightly modified, reference output updated. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3239 c92efa57-630b-4861-b058-cf58834340f0
 2006-07-04 13:50:03 +00:00
giannozz b2366b190c All examples updated 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3218 c92efa57-630b-4861-b058-cf58834340f0
 2006-06-29 08:29:47 +00:00
giannozz d244a22d29 Example 25 updated - PLEASE VERIFY IF RESULTS ARE CORRECT 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3105 c92efa57-630b-4861-b058-cf58834340f0
 2006-05-09 07:25:50 +00:00
giannozz 3a12d680e7 All examples, excepted examples 13 and 22 that might be affected by the 
last pacth, updated - some output names changed to more explicit ones


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2455 c92efa57-630b-4861-b058-cf58834340f0
 2005-11-10 11:35:54 +00:00
giannozz 1729b49682 Example 25 updated. Note that "pmw.out" produces a large amount of output data 
that seems to be quite difficult to compare with reference data. Maybe it should
be renamed so that 'check_example' doesn't make the comparison, but then the
correctness of results should be checked in some other way


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2407 c92efa57-630b-4861-b058-cf58834340f0
 2005-11-02 11:52:57 +00:00
giannozz c36679611c Examples updated - PPLEASE VERIFY 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2293 c92efa57-630b-4861-b058-cf58834340f0
 2005-10-17 09:26:17 +00:00
giannozz e7b256c74d Examples updated in oprder to reflect new output 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2171 c92efa57-630b-4861-b058-cf58834340f0
 2005-09-13 09:33:14 +00:00
giannozz 042721bc9a Examples uodated to reflect new output 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2168 c92efa57-630b-4861-b058-cf58834340f0
 2005-09-13 08:51:59 +00:00
giannozz 7abc7cdebb Minor changes to scripts used to check and save examples 
All examples updated again (sorry), this time with ifort 8
Only pwcond refuses to work with this particular compiler


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2057 c92efa57-630b-4861-b058-cf58834340f0
 2005-07-28 17:26:51 +00:00
giannozz 2176dd6a6f Examples updated - NOT ALL OF THEM HAVE BEEN VERIFIED 
Needed to try the daily test


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2046 c92efa57-630b-4861-b058-cf58834340f0
 2005-07-26 16:58:28 +00:00
giannozz 1377d9a238 Examples updated 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1964 c92efa57-630b-4861-b058-cf58834340f0
 2005-06-20 12:13:07 +00:00
degironc 425894c08e An example for LDA+U is added (SdG) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1405 c92efa57-630b-4861-b058-cf58834340f0
 2004-10-31 17:20:41 +00:00