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NWChem/src/cons
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edoapra 0aff544364
fix acos() FPE
2024-04-08 15:03:56 -07:00
..
cons.F energy print format 2023-08-28 17:57:54 -07:00
cons.fh added c0 parameter to penalty function. Was Vpenalty = K0*exp(-((gamm-gamm0)/gcut0)**2) now is K0*exp(-((gamm-gamm0)/gcut0)**c0)...EJB 2020-06-07 16:00:30 -07:00
cons_data.F added c0 parameter to penalty function. Was Vpenalty = K0*exp(-((gamm-gamm0)/gcut0)**2) now is K0*exp(-((gamm-gamm0)/gcut0)**c0)...EJB 2020-06-07 16:00:30 -07:00
cons_data.fh added c0 parameter to penalty function. Was Vpenalty = K0*exp(-((gamm-gamm0)/gcut0)**2) now is K0*exp(-((gamm-gamm0)/gcut0)**c0)...EJB 2020-06-07 16:00:30 -07:00
cons_input.F f18: no comments on #include line 2020-06-11 23:54:51 -07:00
cons_rtdb.F added c0 parameter to penalty function. Was Vpenalty = K0*exp(-((gamm-gamm0)/gcut0)**2) now is K0*exp(-((gamm-gamm0)/gcut0)**c0)...EJB 2020-06-07 16:00:30 -07:00
cons_springs.F Periodicity in dihedrals constraints 2023-03-29 16:32:40 -07:00
cons_utils.F fix acos() FPE 2024-04-08 15:03:56 -07:00
GNUmakefile fix broken 64_to_32 conversion 2023-10-24 21:56:33 -07:00