changelog.md

Script Changes

2026-01-15 v0.7.1

• Fixed header (comment) counting bug

2026-01-15 v0.7.0

• Refactored code and added a description.py module which now more safely houses static pimc description data.

2026-01-12 v0.6.5

• Fixed small bug in merge.py related to counting bins in cumulative averages

2025-12-10 v0.6.3

• Fixed a small bug in reduce-one.py related to axis labels for pcycle

2025-12-08 v0.6.2

• Fixed a small bug in reduce-one.py related to axis labels for planeaveVext

2025-11-01 v0.6.1

• Updated PIMCResults to have a convenience method .epdata_byval() aiding the extraction of data for reduced vector estimators

2025-11-01 v0.6.0

• Updated merge.py to use pandas.read_csv() for faster large file management

2025-11-01 v0.5.0

• Updated merge.py to use subprocess for line counting
• This massively increases performance for large files

2025-10-30 v0.4.10

• Fixed a bug in rsubmit.py

2025-10-30 v0.4.9

• Stripped absolute path to pimc.e executable from rsubmit.py to avoid issues

2025-10-30 v0.4.8

• Fixed a bug in the header of rsubmit.py

2025-10-27 v0.4.7

• Removed some old code related to ssf/ssfq

2024-08-27 v0.4.5

• fixed a bug in pimchelp when reading parameters from a file

2024-08-20 v0.4.4

• Updated merge.py to deal with possibly empty/corrupt files upon open

2024-08-20 v0.4.3

• Modification to reduce-one.py to allow for weighted averages and standard errors when merging over different seeds.

2024-08-18 v0.42

• Modification to merge.py to allow for pre-averaging of seeds using the --seed cmdline argument.

2023-12-19

• Added considerable functionality to use multiple estimators and multiple values. Useful for comparing two different measurements of the same estimator.
• Updated pimcave.py to take a single estimator

2023-11-15

• Updated merge.py to use less memory for cumulative estimators

2023-4-23

• Added parallel to gensubmit.py and rsubmit.py to run parallel tasks on the cluster easier

2022-01-10

• Updated reduce-one.py to deal with "average" estimators

2021-12-29

• Added custom output labels to merge.py

2021-12-17

• Adding ssfq files to merge.py

2021-12-13 0.3.3

• Added some LJ log parameters to parameter map

2021-12-12 0.3.2

• Added a q-resolved ssfq to reduce-one

2021-12-06 0.3.1

• added static structure factor (ssf) to reduce-one

2021-08-25

• Bugfix in pimchelp.get_pimcid() which only shows up when the chemical potential is negative