- 31 May, 2022 1 commit
-
-
Hang Hu authored
Hot fix for public version 0.6.0 to use latest libcint (5.1.2) to avoid bugs. See merge request chronusq/chronusq_dev!203
-
- 26 May, 2022 5 commits
-
-
Hang Hu authored
Solver vectors function hiding hot fix See merge request chronusq/chronusq_dev!202
-
Tianyuan Zhang authored
-
Hang Hu authored
Implemented SolverVectors abstract class to store vectors for itersolvers See merge request chronusq/chronusq_dev!197
-
-
Hang Hu authored
fix intell 22 compilation See merge request chronusq/chronusq_dev!201
-
- 25 May, 2022 1 commit
-
-
Lixin Lu authored
-
- 24 May, 2022 4 commits
- 23 May, 2022 2 commits
-
-
Hang Hu authored
A fix in procedural for X2C and some printing corrections See merge request chronusq/chronusq_dev!198
-
- 16 May, 2022 1 commit
-
-
Hang Hu authored
Implemented spatial to spin transformation for MultipoleInts and broadcast for ParticleIntegrals See merge request chronusq/chronusq_dev!196
-
- 10 May, 2022 1 commit
-
-
Tianyuan Zhang authored
-
- 20 Apr, 2022 2 commits
-
-
Hang Hu authored
MCWavefunction Mulliken analysis See merge request chronusq/chronusq_dev!194
-
- 07 Apr, 2022 2 commits
- 29 Mar, 2022 2 commits
-
-
Hang Hu authored
RDM Analysis for MCSCF See merge request chronusq/chronusq_dev!174
-
-
- 28 Mar, 2022 2 commits
-
-
Tianyuan Zhang authored
Adding NEO-SCF Unit Tests See merge request chronusq/chronusq_dev!185
-
-
- 21 Mar, 2022 1 commit
-
-
Administrator authored
Hotfix: fix the issue where SkipSCF might change the molecular orbitals after reading See merge request chronusq/chronusq_dev!191
-
- 20 Mar, 2022 2 commits
- 18 Mar, 2022 1 commit
-
-
Hang Hu authored
Fix the index printings if there is no frozen core or virtual orbitals See merge request chronusq/chronusq_dev!190
-
- 17 Mar, 2022 2 commits
- 15 Mar, 2022 1 commit
-
-
agrofe authored
-
- 14 Mar, 2022 2 commits
-
-
Hang Hu authored
Fixed bug for SkipSCF updating the orbitals in See merge request chronusq/chronusq_dev!188
-
- 07 Mar, 2022 4 commits
-
-
Andrew Wildman authored
-
Andrew Wildman authored
Release version 0.6.0 See merge request chronusq/chronusq_dev!184
-
Andrew Wildman authored
Huge NEO refactor See merge request chronusq/chronusq_dev!179
-
Andrew Wildman authored
-
- 06 Mar, 2022 4 commits
-
-
Andrew Wildman authored
-
Andrew Wildman authored
-
Andrew Wildman authored
update dockerfile See merge request chronusq/chronusq_dev!183
-
Andrew Wildman authored
-