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Issues list

SAD guess files for first row transition metals missing for some basis sets enhancement New feature or request
#385 opened Nov 13, 2024 by agoetz
@agoetz @akhilshajan
DL-FIND constrained geometry optimization
#366 opened May 2, 2024 by akhilshajan Loading…
@akhilshajan
13
Update documentation enhancement New feature or request
#336 opened Mar 12, 2024 by Madu86
@agoetz @ohearnk
@Madu86 @akhilshajan
1
Freeze Atoms Positions During Optimization enhancement New feature or request
#306 opened Jan 31, 2024 by RiesBen
@akhilshajan
5
DL-Find GPR Development Version
#298 opened Sep 18, 2023 by akhilshajan Loading…
@akhilshajan
Printing issue in geometry optimization bug Something isn't working
#296 opened Sep 18, 2023 by Madu86
@akhilshajan
Improve gradient printout enhancement New feature or request
#283 opened Feb 20, 2023 by agoetz
1
@agoetz @Madu86 @akhilshajan
5
Geometry optimization fails in multi-GPU version bug Something isn't working
#281 opened Feb 19, 2023 by Madu86
@akhilshajan
6
Isotope and dispersion correction enhancement New feature or request
#276 opened Jan 16, 2023 by sgervasoni
@akhilshajan
1
Unable to print hessian matrix and frequencies
#258 opened Sep 17, 2022 by akashpg1996
@akhilshajan
6
ProTip! Adding no:label will show everything without a label.