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\(tsrc\)

Show the values of the TSRC coordinates (from output) during TS searches
Current version: 2025.01 (shared with CC-BY-NC license). See also all python tools
Usage: tsrc OutputFiles Example: TSRC coordinate values for ts_ic-dha_2_3.2219339.out ------------------------------------------- TRSC bond 60 78 1.407 TRSC bond 78 12 1.180 TSRC coordinate values for ts_ic-dha_2_5.2219181.out ------------------------------------------- TRSC bond 60 78 1.243 TRSC bond 78 12 1.334 TSRC coordinate values for ts_sc-dha_2_3.2219340.out ------------------------------------------- TRSC bond 59 83 1.402 TRSC bond 83 23 1.190 TSRC coordinate values for ts_sc-dha_2_5.2219186.out ------------------------------------------- TRSC bond 59 83 1.278 TRSC bond 83 23 1.293