diff --git a/src/ML-UF3/pair_uf3.cpp b/src/ML-UF3/pair_uf3.cpp index c1b4a2f688..a952403287 100644 --- a/src/ML-UF3/pair_uf3.cpp +++ b/src/ML-UF3/pair_uf3.cpp @@ -288,8 +288,7 @@ void PairUF3::uf3_read_unified_pot_file(char *potf_name) //2B block if (fp2nd_line.count() != 6) error->all(FLERR, - "UF3: Expected 6 words on line {} of {} file " - "but found {} word/s", + "UF3: Expected 6 words on line {} of {} file but found {} word/s", line_counter, potf_name, fp2nd_line.count()); //get the elements @@ -476,8 +475,7 @@ void PairUF3::uf3_read_unified_pot_file(char *potf_name) if (fp7th_line.count() != 3) error->all(FLERR, "UF3: Expected 3 numbers on 7th line => " - "SHAPE_OF_COEFF_MATRIX[I][J][K] " - "found {} numbers", + "SHAPE_OF_COEFF_MATRIX[I][J][K] found {} numbers", fp7th_line.count()); int coeff_matrix_dim1 = fp7th_line.next_int(); @@ -609,10 +607,9 @@ void PairUF3::uf3_read_unified_pot_file(char *potf_name) if (fp4th_line.count() != num_knots_2b) error->all(FLERR, - "UF3: Error readig the 2B potential block for {}-{}\n" - "Expecter {} numbers on 4th line of the block but found {} " - "numbers", - num_knots_2b, fp4th_line.count()); + "UF3: Error reading the 2B potential block for {}-{}\n" + "Expected {} numbers on 4th line of the block but found {} numbers", + element1, element2, num_knots_2b, fp4th_line.count()); for (int k = 0; k < num_knots_2b; k++) { n2b_knots_array[itype][jtype][k] = fp4th_line.next_double(); @@ -633,10 +630,9 @@ void PairUF3::uf3_read_unified_pot_file(char *potf_name) if (fp6th_line.count() != num_of_coeff_2b) error->all(FLERR, - "UF3: Error readig the 2B potential block for {}-{}\n" - "Expecter {} numbers on 6th line of the block but found {} " - "numbers", - num_knots_2b, fp4th_line.count()); + "UF3: Error reading the 2B potential block for {}-{}\n" + "Expected {} numbers on 6th line of the block but found {} numbers", + element1, element2, num_of_coeff_2b, fp6th_line.count()); for (int k = 0; k < num_of_coeff_2b; k++) { n2b_coeff_array[itype][jtype][k] = fp6th_line.next_double(); @@ -646,8 +642,8 @@ void PairUF3::uf3_read_unified_pot_file(char *potf_name) if (num_knots_2b != num_of_coeff_2b + 4) error->all(FLERR, "UF3: {}-{} interaction block has incorrect knot and " - "coeff data nknots!=ncoeffs + 3 + 1", - element1, element2); + "coeff data nknots (={}) != ncoeffs (={}) + 3 + 1", + element1, element2, num_knots_2b, num_of_coeff_2b); setflag[itype][jtype] = 1; setflag[jtype][itype] = 1; @@ -710,7 +706,7 @@ void PairUF3::uf3_read_unified_pot_file(char *potf_name) ValueTokenizer fp4th_line(temp_line); if (fp4th_line.count() != num_knots_3b_jk) error->all(FLERR, - "UF3: Error readig the 3B potential block for {}-{}-{}\n" + "UF3: Error reading the 3B potential block for {}-{}-{}\n" "Expected {} numbers on 4th line of the block but found {} " "numbers", element1, element2, element3, num_knots_3b_jk, fp4th_line.count()); @@ -733,7 +729,7 @@ void PairUF3::uf3_read_unified_pot_file(char *potf_name) ValueTokenizer fp5th_line(temp_line); if (fp5th_line.count() != num_knots_3b_ik) error->all(FLERR, - "UF3: Error readig the 3B potential block for {}-{}-{}\n" + "UF3: Error reading the 3B potential block for {}-{}-{}\n" "Expected {} numbers on 5th line of the block but found {} " "numbers", element1, element2, element3, num_knots_3b_ik, fp5th_line.count()); @@ -756,7 +752,7 @@ void PairUF3::uf3_read_unified_pot_file(char *potf_name) ValueTokenizer fp6th_line(temp_line); if (fp6th_line.count() != num_knots_3b_ij) error->all(FLERR, - "UF3: Error readig the 3B potential block for {}-{}-{}\n" + "UF3: Error reading the 3B potential block for {}-{}-{}\n" "Expected {} numbers on 6th line of the block but found {} " "numbers", element1, element2, element3, num_knots_3b_ij, fp6th_line.count());