Alyssa Travitz
9f0800ffbb
update quickrun execution docs and add MPS link ( #1483 )
2025-08-21 08:52:37 -07:00
Alyssa Travitz
f7b11d45b1
remove "easy_" prefix from cli output ( #1121 )
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* easy_rbfe -> rbfe
* remove addressed TODO
* adding news item
* easy_rhfe -> rhfe prefix
2025-02-11 14:43:21 -08:00
Josh Horton
8552fff0a3
format list
2025-01-29 11:18:47 +00:00
Josh Horton
4caf47c173
Update docs/guide/execution/quickrun_execution.rst
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Co-authored-by: Alyssa Travitz <31974495+atravitz@users.noreply.github.com >
2025-01-29 11:11:06 +00:00
Josh Horton
c4d102f363
Update docs/guide/execution/quickrun_execution.rst
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Co-authored-by: Alyssa Travitz <31974495+atravitz@users.noreply.github.com >
2025-01-29 11:10:36 +00:00
Josh Horton
7e320e4630
Update docs/guide/execution/quickrun_execution.rst
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Co-authored-by: Alyssa Travitz <31974495+atravitz@users.noreply.github.com >
2025-01-29 11:10:29 +00:00
Josh Horton
b0405cf16b
add --n-protocol-repeats flag info
2025-01-24 13:49:41 +00:00
Josh Horton
d0920a0008
add info on parallel execution and gathering
2025-01-24 13:39:56 +00:00
richard gowers
0dd3a73978
docs: final tweaks to userguide quickrun
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clarify can run single sim locally
homogenise quickrun examples
add link to working with results page
2024-04-10 09:57:15 +01:00
richard gowers
af932e763e
docs: add link to transformation dump cookbook
2024-04-10 09:57:15 +01:00
Richard Gowers
1ed37ee4fe
Apply suggestions from code review
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Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com >
2024-04-10 09:57:15 +01:00
richard gowers
fc3b4134f4
docs: adds cli quickrun to userguide
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fixes issue #801
2024-04-10 09:57:15 +01:00
richard gowers
aca53b1d89
docs: create quickrun execution page
2024-04-10 09:57:15 +01:00
richard gowers
e06c97c6e0
docs: Protocol userguide section
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fixes #302
2024-03-11 15:25:03 +00:00
richard gowers
f7cbb59132
docs: flatten models section from userguide in docs
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this was very theory-heavy and not suitable as the 2nd/3rd pages in the user guide (running from top to bottom)
instead:
- models/alchemical_networks can live in setup
- models/execution can live in execution
2024-03-11 15:25:03 +00:00
IAlibay
05f09c9a9b
update execution & results from guide, and add openmm rfe api docs
2023-05-08 11:40:11 +01:00
David W.H. Swenson
152fdf1f79
restructure following discussion today
2023-04-07 13:13:23 -05:00
