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F-SAPT(DFT), SAPT(DFT)-D3/-D4, and SAPT(DFT) External Potentials Docs #4278: Pull request #3372 synchronize by Awallace3
14m 40s Awallace3:saptdft_ein_fi_option_d4
Awallace3:saptdft_ein_fi_option_d4
14m 40s
F-SAPT(DFT), SAPT(DFT)-D3/-D4, and SAPT(DFT) External Potentials Docs #4277: Pull request #3372 synchronize by Awallace3
9m 55s Awallace3:saptdft_ein_fi_option_d4
Awallace3:saptdft_ein_fi_option_d4
9m 55s
F-SAPT(DFT), SAPT(DFT)-D3/-D4, and SAPT(DFT) External Potentials Docs #4276: Pull request #3372 synchronize by Awallace3
15m 17s Awallace3:saptdft_ein_fi_option_d4
Awallace3:saptdft_ein_fi_option_d4
15m 17s
F-SAPT(DFT), SAPT(DFT)-D3/-D4, and SAPT(DFT) External Potentials Docs #4275: Pull request #3372 synchronize by Awallace3
15m 22s Awallace3:saptdft_ein_fi_option_d4
Awallace3:saptdft_ein_fi_option_d4
15m 22s
F-SAPT(DFT), SAPT(DFT)-D3/-D4, and SAPT(DFT) External Potentials Docs #4274: Pull request #3372 synchronize by Awallace3
14m 49s Awallace3:saptdft_ein_fi_option_d4
Awallace3:saptdft_ein_fi_option_d4
14m 49s
F-SAPT(DFT), SAPT(DFT)-D3/-D4, and SAPT(DFT) External Potentials Docs #4273: Pull request #3372 synchronize by Awallace3
14m 50s Awallace3:saptdft_ein_fi_option_d4
Awallace3:saptdft_ein_fi_option_d4
14m 50s
F-SAPT(DFT), SAPT(DFT)-D3/-D4, and SAPT(DFT) External Potentials Docs #4272: Pull request #3372 synchronize by Awallace3
15m 23s Awallace3:saptdft_ein_fi_option_d4
Awallace3:saptdft_ein_fi_option_d4
15m 23s
F-SAPT(DFT), SAPT(DFT)-D3/-D4, and SAPT(DFT) External Potentials Docs #4271: Pull request #3372 synchronize by Awallace3
14m 52s Awallace3:saptdft_ein_fi_option_d4
Awallace3:saptdft_ein_fi_option_d4
14m 52s
Let users set diis vectors in CCENERGY Docs #4270: Pull request #3473 synchronize by cgbriggs99
12m 12s cgbriggs99:diis-vecs
cgbriggs99:diis-vecs
12m 12s
Add TrexIO save/load Python interface Docs #4269: Pull request #3414 synchronize by susilehtola
10m 48s susilehtola:trexio
susilehtola:trexio
10m 48s
Enforce Satisfiable TDSCF Convergence Docs #4268: Pull request #3572 synchronize by JonathonMisiewicz
10m 26s JonathonMisiewicz:eigenguard
JonathonMisiewicz:eigenguard
10m 26s
Enforce Satisfiable TDSCF Convergence Docs #4267: Pull request #3572 opened by JonathonMisiewicz
15m 11s JonathonMisiewicz:eigenguard
JonathonMisiewicz:eigenguard
15m 11s
Delete unused variables. Docs #4266: Pull request #3571 opened by susilehtola
14m 48s susilehtola:cleanup/unused-variables
susilehtola:cleanup/unused-variables
14m 48s
F-SAPT(DFT), SAPT(DFT)-D3/-D4, and SAPT(DFT) External Potentials Docs #4265: Pull request #3372 synchronize by Awallace3
14m 30s Awallace3:saptdft_ein_fi_option_d4
Awallace3:saptdft_ein_fi_option_d4
14m 30s
F-SAPT(DFT), SAPT(DFT)-D3/-D4, and SAPT(DFT) External Potentials Docs #4264: Pull request #3372 synchronize by Awallace3
14m 47s Awallace3:saptdft_ein_fi_option_d4
Awallace3:saptdft_ein_fi_option_d4
14m 47s
F-SAPT(DFT), SAPT(DFT)-D3/-D4, and SAPT(DFT) External Potentials Docs #4263: Pull request #3372 synchronize by Awallace3
13m 9s Awallace3:saptdft_ein_fi_option_d4
Awallace3:saptdft_ein_fi_option_d4
13m 9s
F-SAPT(DFT), SAPT(DFT)-D3/-D4, and SAPT(DFT) External Potentials Docs #4262: Pull request #3372 synchronize by Awallace3
14m 24s Awallace3:saptdft_ein_fi_option_d4
Awallace3:saptdft_ein_fi_option_d4
14m 24s
Fix: Resize the screening cache to the current density list Docs #4261: Pull request #3547 synchronize by ConstLike
17m 52s ConstLike:kk/dens-resize-fix
ConstLike:kk/dens-resize-fix
17m 52s
Fix: density screening bound must see every density Docs #4260: Pull request #3549 synchronize by ConstLike
10m 22s ConstLike:kk/screen-fix
ConstLike:kk/screen-fix
10m 22s
Clean: remove the unused UKSFunctions orbital path Docs #4259: Pull request #3550 synchronize by ConstLike
15m 54s ConstLike:kk/uks-beta-fix
ConstLike:kk/uks-beta-fix
15m 54s
Fix C_IDAMAX: return the zero-based position of the largest element Docs #4258: Pull request #3551 synchronize by ConstLike
16m 7s ConstLike:kk/idamax-fix
ConstLike:kk/idamax-fix
16m 7s
Fix: SCF MOLDEN_WRITE has been broken since the CMolden removal Docs #4257: Pull request #3552 synchronize by ConstLike
11m 22s ConstLike:kk/molden-fix
ConstLike:kk/molden-fix
11m 22s
Fix: add JK::get_do_K Docs #4256: Pull request #3561 synchronize by ConstLike
14m 49s ConstLike:kk/jk-getk
ConstLike:kk/jk-getk
14m 49s
Add: export Matrix::swap_columns and Matrix::sort_cols Docs #4255: Pull request #3562 synchronize by ConstLike
14m 39s ConstLike:kk/mat-export
ConstLike:kk/mat-export
14m 39s
Fix: HF::get_energies should not insert missing keys Docs #4254: Pull request #3563 synchronize by ConstLike
16m 13s ConstLike:kk/scf-iter-getenergies
ConstLike:kk/scf-iter-getenergies
16m 13s