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24 Open 181 Closed
24 Open 181 Closed
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Issues list

Defaults equivalence: v. 2.12 and v.3.01
#304 opened May 21, 2024 by aslozada
1
Utilizing the GROW results for conducting multiple QCG solvation FE calculations
#302 opened May 6, 2024 by moabe84
Feature Suggestion: One sided harmonic constraint
#298 opened May 2, 2024 by kevinkong98
2
Updating conda to the latest version
#295 opened Apr 30, 2024 by moabe84
Crest version 3 using QCG, issues with water as solvent
#294 opened Apr 30, 2024 by andrewtarzia
5
Issue with QCG calculations in CREST 3.0 bug Something isn't working parallelization issue related to parallelization
#285 opened Apr 15, 2024 by moabe84
14
Output gets deleted
#280 opened Mar 27, 2024 by jessman
3
--constrain does not create file
#279 opened Mar 25, 2024 by cassguff
1
QCG final geometry optimization at GFN-FF
#278 opened Mar 25, 2024 by moabe84
3
Patches to compile 3.0pre for unix platforms
#277 opened Mar 22, 2024 by kartlee
1
Support compiling code under Windows
#276 opened Mar 22, 2024 by kartlee
1
munmap_chunk(): invalid pointer
#269 opened Feb 21, 2024 by Erikna00
1
NCI - how to study an ion -water cluster?
#267 opened Feb 18, 2024 by johnwkeller54
2
QCG for long linear molecules
#259 opened Feb 5, 2024 by ucb-mgcf
5
Not everybody is doing static linking!
#256 opened Feb 2, 2024 by pierre-24
2
default gfn??
#254 opened Jan 24, 2024 by jouteurestaque
1
CREST v3.0 Pre release SIGSEGV, segmentation fault occurred
#252 opened Jan 21, 2024 by Rintontin
3
memory problem
#248 opened Jan 11, 2024 by luissimon
3
Access denied when attempting to reproduce example 1
#247 opened Jan 8, 2024 by skepticchemist
1
How do I modify the topology?
#244 opened Dec 8, 2023 by shoubhikraj
2
Cregen eliminates valid conformers as "clashes"
#242 opened Dec 4, 2023 by goxeq
9
Total Energy of cluster not found
#241 opened Nov 23, 2023 by wissamhelal
4
cannot reproduce official QCG examples stale
#239 opened Nov 16, 2023 by gosiao
9
MECP Issue
#172 opened Feb 15, 2023 by abedisyedaliabbas
3
ProTip! Exclude everything labeled bug with -label:bug.