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List features documented in new paper
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2 files changed

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-49
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doc/colvars-code-refs.bib

+12-13
Original file line numberDiff line numberDiff line change
@@ -144,6 +144,17 @@ @article{Fiorin2020
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url = {https://doi.org/10.1002/jcc.26075}
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}
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% Colvars-GROMACS interface
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% gspath colvar component
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% gzpath colvar component
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% linearCombination colvar component
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% gspathCV colvar component
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% gzpathCV colvar component
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% aspathCV colvar component
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% azpathCV colvar component
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% Custom functions (Lepton)
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% Scripted functions (Tcl)
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% ABMD bias
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% Updated multiple-walker ABF implementation
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@article{Fiorin2024,
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author = {Fiorin, Giacomo and Marinelli, Fabrizio and Forrest, Lucy R. and Chen, Haochuan and Chipot, Christophe and Kohlmeyer, Axel and Santuz, Hubert and H{\'e}nin, J{\'e}rôme},
@@ -376,19 +387,7 @@ @article{Invernizzi2022
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pages = {3988--3996},
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}
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% --- NO CITATIONS AVAILABLE YET FOR THESE FEATURES ---
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% Colvars-GROMACS interface
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% gspath colvar component
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% gzpath colvar component
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% linearCombination colvar component
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% gspathCV colvar component
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% gzpathCV colvar component
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% aspathCV colvar component
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% azpathCV colvar component
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% coordNum pairlist
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% Custom functions (Lepton)
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% Scripted functions (Tcl)
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% torchANN colvar component
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% ABMD bias
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% torchANN colvar component
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% --- END ---

src/colvarmodule_refs.h

+36-36
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@@ -137,9 +137,9 @@
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" author = {Fiorin, Giacomo and Marinelli, Fabrizio and Forrest, Lucy R. and Chen, Haochuan and Chipot, Christophe and Kohlmeyer, Axel and Santuz, Hubert and H{\\'e}nin, J{\\'e}rôme},\n"
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" title = {Expanded Functionality and Portability for the Colvars Library},\n"
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" journal = {J. Phys. Chem. {B}},\n"
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" volume = {0},\n"
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" number = {0},\n"
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" pages = {null},\n"
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" volume = {128},\n"
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" number = {45},\n"
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" pages = {11108--11123},\n"
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" year = {2024},\n"
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" doi = {10.1021/acs.jpcb.4c05604},\n"
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" pmid = 39501453,\n"
@@ -545,6 +545,39 @@
545545
feature_count_[std::string("Multi-Map collective variables")] = 0;
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feature_paper_map_[std::string("Multi-Map collective variables")] = "Fiorin2020";
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548+
feature_count_[std::string("Colvars-GROMACS interface")] = 0;
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feature_paper_map_[std::string("Colvars-GROMACS interface")] = "Fiorin2024";
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feature_count_[std::string("gspath colvar component")] = 0;
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feature_paper_map_[std::string("gspath colvar component")] = "Fiorin2024";
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feature_count_[std::string("gzpath colvar component")] = 0;
555+
feature_paper_map_[std::string("gzpath colvar component")] = "Fiorin2024";
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feature_count_[std::string("linearCombination colvar component")] = 0;
558+
feature_paper_map_[std::string("linearCombination colvar component")] = "Fiorin2024";
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feature_count_[std::string("gspathCV colvar component")] = 0;
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feature_paper_map_[std::string("gspathCV colvar component")] = "Fiorin2024";
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563+
feature_count_[std::string("gzpathCV colvar component")] = 0;
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feature_paper_map_[std::string("gzpathCV colvar component")] = "Fiorin2024";
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566+
feature_count_[std::string("aspathCV colvar component")] = 0;
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feature_paper_map_[std::string("aspathCV colvar component")] = "Fiorin2024";
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feature_count_[std::string("azpathCV colvar component")] = 0;
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feature_paper_map_[std::string("azpathCV colvar component")] = "Fiorin2024";
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feature_count_[std::string("Custom functions (Lepton)")] = 0;
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feature_paper_map_[std::string("Custom functions (Lepton)")] = "Fiorin2024";
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feature_count_[std::string("Scripted functions (Tcl)")] = 0;
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feature_paper_map_[std::string("Scripted functions (Tcl)")] = "Fiorin2024";
577+
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feature_count_[std::string("ABMD bias")] = 0;
579+
feature_paper_map_[std::string("ABMD bias")] = "Fiorin2024";
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548581
feature_count_[std::string("Updated multiple-walker ABF implementation")] = 0;
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feature_paper_map_[std::string("Updated multiple-walker ABF implementation")] = "Fiorin2024";
550583

@@ -620,41 +653,8 @@
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feature_count_[std::string("OPES explore or adaptive kernels")] = 0;
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feature_paper_map_[std::string("OPES explore or adaptive kernels")] = "Invernizzi2022";
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623-
feature_count_[std::string("Colvars-GROMACS interface")] = 0;
624-
feature_paper_map_[std::string("Colvars-GROMACS interface")] = "n/a";
625-
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feature_count_[std::string("gspath colvar component")] = 0;
627-
feature_paper_map_[std::string("gspath colvar component")] = "n/a";
628-
629-
feature_count_[std::string("gzpath colvar component")] = 0;
630-
feature_paper_map_[std::string("gzpath colvar component")] = "n/a";
631-
632-
feature_count_[std::string("linearCombination colvar component")] = 0;
633-
feature_paper_map_[std::string("linearCombination colvar component")] = "n/a";
634-
635-
feature_count_[std::string("gspathCV colvar component")] = 0;
636-
feature_paper_map_[std::string("gspathCV colvar component")] = "n/a";
637-
638-
feature_count_[std::string("gzpathCV colvar component")] = 0;
639-
feature_paper_map_[std::string("gzpathCV colvar component")] = "n/a";
640-
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feature_count_[std::string("aspathCV colvar component")] = 0;
642-
feature_paper_map_[std::string("aspathCV colvar component")] = "n/a";
643-
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feature_count_[std::string("azpathCV colvar component")] = 0;
645-
feature_paper_map_[std::string("azpathCV colvar component")] = "n/a";
646-
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feature_count_[std::string("coordNum pairlist")] = 0;
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feature_paper_map_[std::string("coordNum pairlist")] = "n/a";
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650-
feature_count_[std::string("Custom functions (Lepton)")] = 0;
651-
feature_paper_map_[std::string("Custom functions (Lepton)")] = "n/a";
652-
653-
feature_count_[std::string("Scripted functions (Tcl)")] = 0;
654-
feature_paper_map_[std::string("Scripted functions (Tcl)")] = "n/a";
655-
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feature_count_[std::string("torchANN colvar component")] = 0;
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feature_paper_map_[std::string("torchANN colvar component")] = "n/a";
658-
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feature_count_[std::string("ABMD bias")] = 0;
660-
feature_paper_map_[std::string("ABMD bias")] = "n/a";

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