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Update SEQCROW-1.8.19a1-py3-none-any.whl

ajs99778pushed 1 commit to master • 542b399…aa1b0dd • 
10 days ago

aarontools update

ajs99778pushed 3 commits to master • c2ca4af…542b399 • 
10 days ago

fixing steric maps and input file encoding

ajs99778pushed 3 commits to master • dfdc90d…c2ca4af • 
14 days ago

Update jobs.py

ajs99778pushed 1 commit to master • b7735fa…dfdc90d • 
22 days ago

xyz element numbers

ajs99778pushed 1 commit to master • d2b5d08…b7735fa • 
28 days ago

fixing atom names before making input files

ajs99778pushed 1 commit to master • 328f183…d2b5d08 • 
on Feb 14

fixing session.log.error

ajs99778pushed 1 commit to master • 422d6ca…328f183 • 
on Jan 21

fixed goat cluster template not working

ajs99778pushed 1 commit to master • 2ed5633…422d6ca • 
on Jan 14

some bug fixes

ajs99778pushed 3 commits to master • 3acce1c…2ed5633 • 
on Jan 10

updating some job stuff for goat

ajs99778pushed 1 commit to master • ed9ce3f…3acce1c • 
on Jan 8

bug fixes with constraints/scans

ajs99778pushed 1 commit to master • 23a8f57…ed9ce3f • 
on Dec 29, 2024

aarontools update

ajs99778pushed 1 commit to master • 851ea99…23a8f57 • 
on Dec 23, 2024

several things

ajs99778pushed 1 commit to master • ca85c0f…851ea99 • 
on Dec 23, 2024

zmat works better

ajs99778pushed 1 commit to master • 9f7fbec…ca85c0f • 
on Dec 12, 2024

zmat is closer to working

ajs99778pushed 1 commit to master • 76bcf9a…9f7fbec • 
on Dec 12, 2024

sort of fixed zmat

ajs99778pushed 1 commit to master • ba3f4db…76bcf9a • 
on Dec 11, 2024

breaking zmat builder

ajs99778pushed 1 commit to master • 9e552f0…ba3f4db • 
on Dec 4, 2024

starting changes to zmat builder

ajs99778pushed 1 commit to master • e636cff…9e552f0 • 
on Nov 27, 2024

AaronTools update

ajs99778pushed 1 commit to master • 490dde8…e636cff • 
on Nov 26, 2024

fixing spectra csv in info tool

ajs99778pushed 1 commit to master • a1827b5…490dde8 • 
on Nov 26, 2024

performance improvements for monitorBonds

ajs99778pushed 1 commit to master • af43a41…a1827b5 • 
on Nov 25, 2024

fixing error

ajs99778pushed 1 commit to master • bd29313…af43a41 • 
on Nov 25, 2024

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ajs99778pushed 1 commit to master • d1c920b…bd29313 • 
on Nov 21, 2024

fixing xyz file bonds when atom numbers are used

ajs99778pushed 1 commit to master • 2fbd145…d1c920b • 
on Nov 21, 2024

1.8.15

ajs99778pushed 1 commit to master • 77ddcae…2fbd145 • 
on Nov 8, 2024

changed some error messages

ajs99778pushed 1 commit to master • 85360b8…77ddcae • 
on Oct 10, 2024

added command to open/close energy plot

ajs99778pushed 1 commit to master • 9116fec…85360b8 • 
on Oct 9, 2024

updating some error messages

ajs99778pushed 1 commit to master • cbce1f3…9116fec • 
on Oct 8, 2024

fix cmap bug

ajs99778pushed 1 commit to master • fb2891d…cbce1f3 • 
on Aug 17, 2024

added PG button to thermochem tool

ajs99778pushed 1 commit to master • 343fca5…fb2891d • 
on Aug 16, 2024