Releases: JoonhoLee-Group/ipie
Releases · JoonhoLee-Group/ipie
v0.7.1
What's Changed
- Fix wicks assertion by @fdmalone in #287
- fix array handling for CPU/GPU compatibility by @jiangtong1000 in #288
- optimize mem use for cpu-sharemem and gpu. by @jiangtong1000 in #289
- added free projection without open ended walks by @ankit76 in #291
- Add example for interfacing to FQE. by @fdmalone in #298
- GPU code on single det trial with chunked Cholesky vectors over cards/nodes; and CPU share memory by @jiangtong1000 in #297
- bug fix of split chol utils by @jiangtong1000 in #300
- FT cleanup by @shufay in #296
- Fix format and lint errors and relax requirements by @fdmalone in #309
New Contributors
Full Changelog: v0.7.0...v0.7.1
Release v0.7.0
What's Changed
- Fix MSD bug by @fdmalone in #153
- Remove config print. by @fdmalone in #154
- Fix writing of ROHF trial wavefunctions by @fdmalone in #158
- Use mo_occ for SD trials. by @fdmalone in #160
- Automatically detect underlying active space in CAS trial by @fdmalone in #161
- Minor usability updates by @fdmalone in #162
- Main by @linusjoonho in #165
- small bug fixes by @hungpham2017 in #174
- Remove nalpha/nbeta option from dice converter. by @fdmalone in #175
- Use pyscf's hcore function rather than handrolled by @fdmalone in #177
- Licensing by @fdmalone in #183
- Fix ipie setup by @fdmalone in #184
- Fix versioning. by @fdmalone in #185
New Contributors
- @hungpham2017 made their first contribution in #174
Full Changelog: v0.6.3...v0.7.0
v0.6.2 release
What's Changed
- Fix MSD bug by @fdmalone in #153
- Remove config print. by @fdmalone in #154
- Fix writing of ROHF trial wavefunctions by @fdmalone in #158
- Use mo_occ for SD trials. by @fdmalone in #160
- Automatically detect underlying active space in CAS trial by @fdmalone in #161
- Minor usability updates by @fdmalone in #162
- merging develop into main by @linusjoonho in #163
- merging develop to main for ci changes by @linusjoonho in #164
- Main by @linusjoonho in #165
- small bug fixes by @hungpham2017 in #174
- Remove nalpha/nbeta option from dice converter. by @fdmalone in #175
- Use pyscf's hcore function rather than handrolled by @fdmalone in #177
- Licensing by @fdmalone in #183
- Fix ipie setup by @fdmalone in #184
- Fix versioning. by @fdmalone in #185
- Fix variational energy evaluation for trial wavefunction with complex coefficients. by @fdmalone in #187
- Fixes for pip by @fdmalone in #188
- Oao bug fix by @linusjoonho in #189
- Publish by @fdmalone in #190
New Contributors
- @hungpham2017 made their first contribution in #174
Full Changelog: v0.1.0...v0.6.2