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fixed perf.regression introduced with #444 (#905)

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* Perf. regression was caused by different termination criterion (reinstated g(r) < t OR rd < eps).
* Introduced mixed precision (EXP iteration).
* Reverted ref. values changed as part of PR #444 (TEST_FILES), and updated according to this PR.
* Rely on bisection to keep internal parameters as in previous implementation of exp_radius.
* Renamed exp_radius_fast to exp_radius_base, removed exp_radius_simple (unused/dead code).
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Hans Pabst 2020-05-08 19:49:53 +02:00 • committed by GitHub
parent 36d56edf2e
commit f34dd080fe
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96 changed files with 628 additions and 693 deletions
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4
tests/Pimd/regtest-1/TEST_FILES
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@ -3,8 +3,8 @@
# see regtest/TEST_FILES
h2o_pint_fist_nose.inp 9 2e-14 1.0721132870718006E-002
h2o_pint_fist_nose_restart.inp 9 2e-14 1.0723685835629522E-002
h2o_pint_qs_nve.inp 9 1.0E-14 -17.137404051350341
h2o_pint_qs_nose.inp 9 1.0E-14 -17.129537082760319
h2o_pint_qs_nve.inp 9 1.0E-14 -17.137404051069296
h2o_pint_qs_nose.inp 9 1.0E-14 -17.129537082483935
h2o_pint_qs_nose_restart.inp 9 2e-09 -17.1295368929579
h2o_pint_exact_harm.inp 9 3e-14 2.8542777100474888E-003
h2o_pint_rpmd.inp 9 2e-14 1.1503487725277912E-002