Ipie

Latest version: v0.7.1

Safety actively analyzes 688746 Python packages for vulnerabilities to keep your Python projects secure.

Scan your dependencies

0.7.1

What's Changed
* Fix wicks assertion by fdmalone in https://github.com/JoonhoLee-Group/ipie/pull/287
* fix array handling for CPU/GPU compatibility by jiangtong1000 in https://github.com/JoonhoLee-Group/ipie/pull/288
* optimize mem use for cpu-sharemem and gpu. by jiangtong1000 in https://github.com/JoonhoLee-Group/ipie/pull/289
* added free projection without open ended walks by ankit76 in https://github.com/JoonhoLee-Group/ipie/pull/291
* Add example for interfacing to FQE. by fdmalone in https://github.com/JoonhoLee-Group/ipie/pull/298
* GPU code on single det trial with chunked Cholesky vectors over cards/nodes; and CPU share memory by jiangtong1000 in https://github.com/JoonhoLee-Group/ipie/pull/297
* bug fix of split chol utils by jiangtong1000 in https://github.com/JoonhoLee-Group/ipie/pull/300
* FT cleanup by shufay in https://github.com/JoonhoLee-Group/ipie/pull/296
* Fix format and lint errors and relax requirements by fdmalone in https://github.com/JoonhoLee-Group/ipie/pull/309

New Contributors
* shufay made their first contribution in https://github.com/JoonhoLee-Group/ipie/pull/296

**Full Changelog**: https://github.com/JoonhoLee-Group/ipie/compare/v0.7.0...v0.7.1

0.7.0

What's Changed
* Fix MSD bug by fdmalone in https://github.com/JoonhoLee-Group/ipie/pull/153
* Remove config print. by fdmalone in https://github.com/JoonhoLee-Group/ipie/pull/154
* Fix writing of ROHF trial wavefunctions by fdmalone in https://github.com/JoonhoLee-Group/ipie/pull/158
* Use mo_occ for SD trials. by fdmalone in https://github.com/JoonhoLee-Group/ipie/pull/160
* Automatically detect underlying active space in CAS trial by fdmalone in https://github.com/JoonhoLee-Group/ipie/pull/161
* Minor usability updates by fdmalone in https://github.com/JoonhoLee-Group/ipie/pull/162
* Main by linusjoonho in https://github.com/JoonhoLee-Group/ipie/pull/165
* small bug fixes by hungpham2017 in https://github.com/JoonhoLee-Group/ipie/pull/174
* Remove nalpha/nbeta option from dice converter. by fdmalone in https://github.com/JoonhoLee-Group/ipie/pull/175
* Use pyscf's hcore function rather than handrolled by fdmalone in https://github.com/JoonhoLee-Group/ipie/pull/177
* Licensing by fdmalone in https://github.com/JoonhoLee-Group/ipie/pull/183
* Fix ipie setup by fdmalone in https://github.com/JoonhoLee-Group/ipie/pull/184
* Fix versioning. by fdmalone in https://github.com/JoonhoLee-Group/ipie/pull/185

New Contributors
* hungpham2017 made their first contribution in https://github.com/JoonhoLee-Group/ipie/pull/174

**Full Changelog**: https://github.com/JoonhoLee-Group/ipie/compare/v0.6.3...v0.7.0

0.6.2

What's Changed
* Fix MSD bug by fdmalone in https://github.com/linusjoonho/ipie/pull/153
* Remove config print. by fdmalone in https://github.com/linusjoonho/ipie/pull/154
* Fix writing of ROHF trial wavefunctions by fdmalone in https://github.com/linusjoonho/ipie/pull/158
* Use mo_occ for SD trials. by fdmalone in https://github.com/linusjoonho/ipie/pull/160
* Automatically detect underlying active space in CAS trial by fdmalone in https://github.com/linusjoonho/ipie/pull/161
* Minor usability updates by fdmalone in https://github.com/linusjoonho/ipie/pull/162
* merging develop into main by linusjoonho in https://github.com/linusjoonho/ipie/pull/163
* merging develop to main for ci changes by linusjoonho in https://github.com/linusjoonho/ipie/pull/164
* Main by linusjoonho in https://github.com/linusjoonho/ipie/pull/165
* small bug fixes by hungpham2017 in https://github.com/linusjoonho/ipie/pull/174
* Remove nalpha/nbeta option from dice converter. by fdmalone in https://github.com/linusjoonho/ipie/pull/175
* Use pyscf's hcore function rather than handrolled by fdmalone in https://github.com/linusjoonho/ipie/pull/177
* Licensing by fdmalone in https://github.com/linusjoonho/ipie/pull/183
* Fix ipie setup by fdmalone in https://github.com/linusjoonho/ipie/pull/184
* Fix versioning. by fdmalone in https://github.com/linusjoonho/ipie/pull/185
* Fix variational energy evaluation for trial wavefunction with complex coefficients. by fdmalone in https://github.com/linusjoonho/ipie/pull/187
* Fixes for pip by fdmalone in https://github.com/linusjoonho/ipie/pull/188
* Oao bug fix by linusjoonho in https://github.com/linusjoonho/ipie/pull/189
* Publish by fdmalone in https://github.com/linusjoonho/ipie/pull/190

New Contributors
* hungpham2017 made their first contribution in https://github.com/linusjoonho/ipie/pull/174

**Full Changelog**: https://github.com/linusjoonho/ipie/compare/v0.1.0...v0.6.2

Links

Releases

Has known vulnerabilities

© 2024 Safety CLI Cybersecurity Inc. All Rights Reserved.