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Add DL poly writers#1146

Merged
swails merged 19 commits into
ParmEd:masterfrom
swails:feature/dl-poly
Feb 16, 2021
Merged

Add DL poly writers#1146
swails merged 19 commits into
ParmEd:masterfrom
swails:feature/dl-poly

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@swails swails commented Feb 16, 2021

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This replaces #1102 (it just merges the latest master into that branch).

Vinicius Wilian D. Cruzeiro and others added 19 commits November 18, 2018 11:02
This reverts commit 9dd2577.
into DLPOLY input files. In this commit I set the structural basis
for this changes (placed new files at parmed/dlpoly which were
adapted from parmed/gromacs), and I have an initial version of
the dlpolyconfig.py file that is already giving the expected
results. I still need to address the generation of the FIELD file
and other details
can get the velocities from the Amber inpcrd file, in case it is there.
@swails swails changed the title Add DL poly readers Add DL poly writers Feb 16, 2021
@swails swails merged commit 2dcdaa9 into ParmEd:master Feb 16, 2021
@swails swails deleted the feature/dl-poly branch February 16, 2021 14:38
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