quantum-espresso/test-suite/pw_b3lyp
Paolo Giannozzi b12dbcf7ec Removal of first batch of erroneously added files 2019-01-17 16:47:49 +01:00
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b3lyp-O.in Test for spin-polarized B3LYP (O atom) replaced with a more stable one (OH) 2018-06-22 16:11:09 +02:00
b3lyp-h2o.in Gamma test for b3lyp now tests stress as well 2018-06-23 18:31:40 +02:00
benchmark.out.git.inp=b3lyp-O.in Reference to SVN in the names of test-suite benchmark files and in the 2018-07-18 15:15:46 +02:00
benchmark.out.git.inp=b3lyp-h2o.in Reference to SVN in the names of test-suite benchmark files and in the 2018-07-18 15:15:46 +02:00
benchmark.out.git.inp=x3lyp-O.in Reference to SVN in the names of test-suite benchmark files and in the 2018-07-18 15:15:46 +02:00
benchmark.out.git.inp=x3lyp-h2o.in Reference to SVN in the names of test-suite benchmark files and in the 2018-07-18 15:15:46 +02:00
x3lyp-O.in Test for spin-polarized B3LYP (O atom) replaced with a more stable one (OH) 2018-06-22 16:11:09 +02:00
x3lyp-h2o.in Spin-polarized X3LYP, with tests - may or may not work 2018-01-23 14:18:06 +01:00