scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
3,361 Commits 5 Branches 40 Tags 1.8 GiB
Commit Graph

11 Commits

Author SHA1 Message Date
giannozz d01938e1a8 Excessive usage of memory fixed 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2888 c92efa57-630b-4861-b058-cf58834340f0
 2006-03-08 11:18:15 +00:00
giannozz 1e42e05f69 error (..., -1) => infomsg 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2142 c92efa57-630b-4861-b058-cf58834340f0
 2005-08-30 16:27:58 +00:00
giannozz f533b052d5 dbl => DP (defined as previously dbl was) 
syntax for declarations: real(DP), without "kind="


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2135 c92efa57-630b-4861-b058-cf58834340f0
 2005-08-28 14:09:42 +00:00
giannozz 50decb486f Added copyright notice where missing (please check) 
Modified copyright notice to make it compatible with script
"check_license"


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1730 c92efa57-630b-4861-b058-cf58834340f0
 2005-03-21 14:01:19 +00:00
sbraccia 0caeadbd7b Machine-dependent definitions are now contained in two different files (both in /include): 
1) f_defs.h  for definitions to be included in FORTRAN files ONLY
   2) c_defs.h  for definitions to be included in C       files ONLY

C.S.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1012 c92efa57-630b-4861-b058-cf58834340f0
 2004-06-25 17:25:37 +00:00
sbraccia d1579c66ec Removed references (not yet everywhere) to module basis for those variables already in module ions_base. 
C.S.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@953 c92efa57-630b-4861-b058-cf58834340f0
 2004-06-12 13:44:18 +00:00
giannozz 47c5de62f8 More USPP_related variables moved to Modules/uspp.f90 
Note that lqx => lmaxq for consistency with other names
(those ending in x are static dimensioning)
Beware unexpected side effects (PG)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@933 c92efa57-630b-4861-b058-cf58834340f0
 2004-05-31 17:55:33 +00:00
giannozz 2da5c01765 becp = <beta|psi> allocated only when needed (except in phonon where it is 
still allocated at the beginning) - misc cleanup


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@878 c92efa57-630b-4861-b058-cf58834340f0
 2004-05-11 21:08:21 +00:00
giannozz 0b1a5c9fd8 Extensive module cleanup: DP moved from wrong place (parameters) to the 
correct place (kinds); module "varie" replaced by "control_flags" (not
yet in pwcom, though) - many many files changed.
64-bit cpus (Opteron, maybe Itanium) should now work if __LINUX64 is defined


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@513 c92efa57-630b-4861-b058-cf58834340f0
 2004-01-23 15:08:03 +00:00
degironc 0e2edd9002 speed-up of z* calculation 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@340 c92efa57-630b-4861-b058-cf58834340f0
 2003-10-24 15:57:43 +00:00
degironc 9c38e39f43 16 Oct 2003 US effective charges now available in the phonon code. 
Contributed by Gernot Deinzer


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@333 c92efa57-630b-4861-b058-cf58834340f0
 2003-10-16 14:39:25 +00:00