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v2.3.5

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@dyzheng dyzheng released this 08 Sep 09:45
· 2462 commits to develop since this release
b054731

Release Note

Feature

  • Feature: added optional value "-1" for variable "symmetry" for no time-reversal symmetry by @dyzheng in #1194
  • perf: allow soc in the accelerated vnl which also fixes a bug in the old vnl by @wenfei-li in #1214
  • Feature: use new interface part in GENELPA for ABACUS's genelpa feature by @pplab and @caic99 in #1213

Test

Bug fix

  • Fix: Add calculation for compensating charge energy and force. by @ddhhss in #1193
  • Fix: delete hpsi before new one in operator.h by @pxlxingliang in #1196
  • Fix: Out-of-bounds memory access in v_compensating. by @ddhhss in #1200
  • Fix: serial version by @lyb9812 in #1202
  • Fix:Bug in parallel computing of compensating force. by @ddhhss in #1204
  • Fix: SOC calculation in PW code would caused nan by @dyzheng in #1212

Documentation

Full Changelog: v2.3.4...v2.3.5