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33 Open 195 Closed
33 Open 195 Closed
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Issues list

f-in-core in CREST 3.0.1
#334 opened Aug 21, 2024 by corinwagen
2
compilation problem in tblite_api
#333 opened Aug 21, 2024 by krzys-r
4
Problems with msreact
#332 opened Aug 21, 2024 by AndreySchadel
1
[BUG] - Crest does not respect binary in input.toml
#330 opened Aug 9, 2024 by coltonbh
2
[MISSING] - Block for solvent
#329 opened Aug 8, 2024 by coltonbh
4
Getting error "Please check your input"
#327 opened Aug 1, 2024 by anand5ky
1
CREST does not find any conformers when Na+ is present
#326 opened Jul 30, 2024 by codecollider
2
CREST 3.0.1 won't run the published graphene example
#323 opened Jul 19, 2024 by Cobalt-59
1
How to calculate the QCG of mixed solvents?
#319 opened Jul 18, 2024 by zdworld
Can not run the examples/expl-4 and expl-9
#317 opened Jul 12, 2024 by zdworld
2
Getting huge memory file crest_rotamer.xyz .
#316 opened Jul 5, 2024 by anand5ky
1
Initial geometry optimization failed
#313 opened Jun 27, 2024 by Jevon-Du
2
Inconsitent implicit solvation between tblite and xtb bug Something isn't working question Further information is requested
#312 opened Jun 13, 2024 by FrancescoTalotta
9
Running with constraints doesn't work if constraints file given as file path
#311 opened Jun 8, 2024 by cassguff
2
How Can I reuse conformational ensemble generated by crest
#310 opened Jun 6, 2024 by gkxiao
1
Can this program be run on Windows 11?
#307 opened May 31, 2024 by freakyfreaker104
1
Geometry Optimization Convergence Issues and Final Summary
#306 opened May 31, 2024 by ismiek
11
Having trouble reproducing examples
#305 opened May 30, 2024 by GreenMeansForgive
1
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
1
Crest version 3 using QCG, issues with water as solvent
#294 opened Apr 30, 2024 by andrewtarzia
5
Intel MKL ERROR: Parameter 6 was incorrect on entry to DLASWP bug Something isn't working parallelization issue related to parallelization
#285 opened Apr 15, 2024 by moabe84
19
Output gets deleted
#280 opened Mar 27, 2024 by jessman
3
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