File libcint.changes of Package libcint

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File libcint.changes of Package libcint (Revision ad6f4225b75e3f8b91128b5e395d7545)

Currently displaying revision ad6f4225b75e3f8b91128b5e395d7545 , Show latest

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Tue Jan 12 21:04:28 UTC 2021 - andy great <andythe_great@pm.me>

- Update to version 4.0.7.
  * Fix bug in rys_roots when R_dsmit fails to find all roots.

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Thu Nov 12 14:28:38 UTC 2020 - andy great <andythe_great@pm.me>

- Update to version 4.0.6.
  * Fix return value bug in rysroots
- Update since 3.1.1.
  * Fix prescreening bug in int3c2e
  * Fix cache size bug in int3c1e
  * Fix memory allocation bug in int3c1e
  * Improve macro MALLOC_INSTACK
  * Fix function typedef bug in include/cint_funcs.h
  * Update cmake configs and docs
  * API Change. PTR_LIGHT_SPEED is replaced with PTR_EXPCUTOFF. 
    Integral screening parameter can be passed through 
    env[PTR_EXPCUTOFF]
  * Add short-range integrals for range-separation
  * Handle linear dependency in Rys polynomial
  * Avoid calling exit function

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Fri Sep  4 16:20:17 UTC 2020 - andy great <andythe_great@pm.me>

- Clean up spec file.

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Thu Sep  3 08:13:53 UTC 2020 - andy great <andythe_great@pm.me>

- Fix devel dependency.

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Tue Sep  1 18:09:13 UTC 2020 - andy great <andythe_great@pm.me>

- Initial package release.

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File libcint.changes of Package libcint (Revision ad6f4225b75e3f8b91128b5e395d7545)

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