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quantum-espresso/cptests
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degironc 4c1a5e47c8 variables nelec, nelup and neldw removed from input 
now only tot_charge, tot_magnetization (REAL!) and multiplicity are available.
documentation updated
inputs in examples, tests and cptest updated


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5949 c92efa57-630b-4861-b058-cf58834340f0
 		2009-09-18 13:30:27 +00:00
..
check-cp.x.j - paramagnetic O2 molecule test added 2009-09-06 17:27:25 +00:00
h2o-mt-blyp.in1 variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
h2o-mt-blyp.in2 variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
h2o-mt-blyp.in3 variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
h2o-mt-blyp.in4 variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
h2o-mt-blyp.ref1 - further cp tests 2009-09-05 21:59:09 +00:00
h2o-mt-blyp.ref2 - further cp tests 2009-09-05 21:59:09 +00:00
h2o-mt-blyp.ref3 - further cp tests 2009-09-05 21:59:09 +00:00
h2o-mt-blyp.ref4 - further cp tests 2009-09-05 21:59:09 +00:00
o2-us-para-pbe.in1 variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
o2-us-para-pbe.in2 variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
o2-us-para-pbe.in3 variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
o2-us-para-pbe.in4 variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
o2-us-para-pbe.in5 variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
o2-us-para-pbe.in6 variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
o2-us-para-pbe.ref1 - paramagnetic O2 molecule test added 2009-09-06 17:27:25 +00:00
o2-us-para-pbe.ref2 - paramagnetic O2 molecule test added 2009-09-06 17:27:25 +00:00
o2-us-para-pbe.ref3 - paramagnetic O2 molecule test added 2009-09-06 17:27:25 +00:00
o2-us-para-pbe.ref4 - paramagnetic O2 molecule test added 2009-09-06 17:27:25 +00:00
o2-us-para-pbe.ref5 - paramagnetic O2 molecule test added 2009-09-06 17:27:25 +00:00
o2-us-para-pbe.ref6 - paramagnetic O2 molecule test added 2009-09-06 17:27:25 +00:00
si-vbc-lda.in1 variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
si-vbc-lda.in2 variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
si-vbc-lda.in3 variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
si-vbc-lda.ref1 - more on cp checks 2009-08-30 22:05:47 +00:00
si-vbc-lda.ref2 - more on cp checks 2009-08-30 22:05:47 +00:00
si-vbc-lda.ref3 - more on cp checks 2009-08-30 22:05:47 +00:00
sio2-us-lda.in1 variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
sio2-us-lda.in2 variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
sio2-us-lda.in3 variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
sio2-us-lda.in4 variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
sio2-us-lda.ref1 - further cp tests 2009-09-05 21:59:09 +00:00
sio2-us-lda.ref2 - further cp tests 2009-09-05 21:59:09 +00:00
sio2-us-lda.ref3 - further cp tests 2009-09-05 21:59:09 +00:00
sio2-us-lda.ref4 - further cp tests 2009-09-05 21:59:09 +00:00