[RFC] Refactor atom groups read data - #953
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| @@ -447,10 +447,6 @@ int colvarmodule::parse_global_params(std::string const &conf) | |||
| return COLVARS_INPUT_ERROR; | |||
| } else { | |||
| this->log("EXPERIMENTAL GPU parallelism will be used. GPU information:\n"); | |||
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TODO: see #940 (comment) to remove this line.
This commit refactors the read_data and read_data_gpu of atom groups. The atom groups may be referenced by different CVCs in the future.
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I will look into the test failures in https://github.com/HanatoK/colvars/actions/runs/33562573020/job/100038292990 tomorrow. |
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This PR implements the idea discussed in #938 (comment), and also refactors the update of lattice (boundary condition) so that
boundaries_is updated only once in the GPU code path. This PR also lays the foundation of reusing atom groups.This PR depends on #940. Sadly I still haven't figured out how to make a stacked PR...